[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C27H28N4O6S MolecularWeight: 536.59942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O6S/c32-25(29-27(34)28-19-21-8-3-1-4-9-21)20-37-26(33)22-10-7-13-24(18-22)38(35,36)31-16-14-30(15-17-31)23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2,(H2,28,29,32,34)