4-[4-[1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylprolyl]piperazino]sulfonylbenzonitrile Formula: C34H33Cl2N5O6S2 MolecularWeight: 742.69172

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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)S(=O)(=O)C6=CC=C(C=C6)C#N)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C34H33Cl2N5O6S2/c1-22-19-23(2)38-33-26(22)5-3-7-30(33)47-21-27-28(35)12-13-31(32(27)36)49(45,46)41-14-4-6-29(41)34(42)39-15-17-40(18-16-39)48(43,44)25-10-8-24(20-37)9-11-25/h3,5,7-13,19,29H,4,6,14-18,21H2,1-2H3