[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C27H27ClN4O6S MolecularWeight: 571.04448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4O6S/c28-24-12-11-22(39(36,37)32-15-13-31(14-16-32)21-9-5-2-6-10-21)17-23(24)26(34)38-19-25(33)30-27(35)29-18-20-7-3-1-4-8-20/h1-12,17H,13-16,18-19H2,(H2,29,30,33,35)