2-[4-[4-[(4-phenylphenyl)sulfonylamino]butanoylamino]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-[4-[(4-phenylphenyl)sulfonylamino]butanoylamino]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[4-[(4-phenylphenyl)sulfonylamino]butanoylamino]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[1-oxo-4-[(4-phenylphenyl)sulfonylamino]butyl]amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[4-[(4-phenylphenyl)sulfonylamino]butanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[4-[(4-phenylphenyl)sulfonylamino]butanoylamino]piperidino]ethyl ester Formula: C31H37ClN4O6S MolecularWeight: 629.16668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CCCNS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CCCNS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)Cl)N

InChI

InChI=1S/C31H37ClN4O6S/c1-41-29-21-28(33)27(32)20-26(29)31(38)42-19-18-36-16-13-24(14-17-36)35-30(37)8-5-15-34-43(39,40)25-11-9-23(10-12-25)22-6-3-2-4-7-22/h2-4,6-7,9-12,20-21,24,34H,5,8,13-19,33H2,1H3,(H,35,37)