[(Z)-[azanyl-[4-[4-[1-[4-chloranyl-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]-2-methoxy-phenyl]sulfonylpyrrolidin-2-yl]carbonylpiperazin-1-yl]carbonylphenyl]methylidene]amino] ethanoate

Systemtic Name: [(Z)-[azanyl-[4-[4-[1-[4-chloranyl-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]-2-methoxy-phenyl]sulfonylpyrrolidin-2-yl]carbonylpiperazin-1-yl]carbonylphenyl]methylidene]amino] ethanoate Openeye Name: [(Z)-[amino-[4-[4-[1-[4-chloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]-2-methoxy-phenyl]sulfonylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]phenyl]methylene]amino] acetate CAS Name: acetic acid [(Z)-[amino-[4-[[4-[[1-[4-chloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]-2-methoxyphenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]-oxomethyl]phenyl]methylidene]amino] ester IUPAC Name: [(Z)-[amino-[4-[4-[1-[4-chloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]-2-methoxyphenyl]sulfonylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]phenyl]methylidene]amino] acetate Traditional Name: acetic acid [(Z)-[amino-[4-[4-[1-[4-chloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]-2-methoxy-phenyl]sulfonylprolyl]piperazine-1-carbonyl]phenyl]methylene]amino] ester Formula: C38H41ClN6O8S MolecularWeight: 777.28554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3OC)S(=O)(=O)N4CCCC4C(=O)N5CCN(CC5)C(=O)C6=CC=C(C=C6)C(=NOC(=O)C)N)Cl)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3OC)S(=O)(=O)N4CCCC4C(=O)N5CCN(CC5)C(=O)C6=CC=C(C=C6)/C(=N/OC(=O)C)/N)Cl)C

InChI

InChI=1S/C38H41ClN6O8S/c1-23-21-24(2)41-34-28(23)7-5-9-32(34)52-22-29-30(39)14-15-33(35(29)51-4)54(49,50)45-16-6-8-31(45)38(48)44-19-17-43(18-20-44)37(47)27-12-10-26(11-13-27)36(40)42-53-25(3)46/h5,7,9-15,21,31H,6,8,16-20,22H2,1-4H3,(H2,40,42)