[(Z)-[azanyl-[4-[(E)-3-[4-[1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylpiperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]methylidene]amino] ethanoate

Systemtic Name: [(Z)-[azanyl-[4-[(E)-3-[4-[1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylpiperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]methylidene]amino] ethanoate Openeye Name: [(Z)-[amino-[4-[(E)-3-[4-[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]-3-oxo-prop-1-enyl]phenyl]methylene]amino] acetate CAS Name: acetic acid [(Z)-[amino-[4-[(E)-3-[4-[[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]-3-oxoprop-1-enyl]phenyl]methylidene]amino] ester IUPAC Name: [(Z)-[amino-[4-[(E)-3-[4-[1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]-3-oxoprop-1-enyl]phenyl]methylidene]amino] acetate Traditional Name: acetic acid [(Z)-[amino-[4-[(E)-3-[4-[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylprolyl]piperazino]-3-keto-prop-1-enyl]phenyl]methylene]amino] ester Formula: C39H40Cl2N6O7S MolecularWeight: 807.7419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)N5CCN(CC5)C(=O)C=CC6=CC=C(C=C6)C(=NOC(=O)C)N)Cl)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)N5CCN(CC5)C(=O)/C=C/C6=CC=C(C=C6)/C(=N/OC(=O)C)/N)Cl)C

InChI

InChI=1S/C39H40Cl2N6O7S/c1-24-22-25(2)43-37-29(24)6-4-8-33(37)53-23-30-31(40)14-15-34(36(30)41)55(51,52)47-17-5-7-32(47)39(50)46-20-18-45(19-21-46)35(49)16-11-27-9-12-28(13-10-27)38(42)44-54-26(3)48/h4,6,8-16,22,32H,5,7,17-21,23H2,1-3H3,(H2,42,44)/b16-11+