[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O6S/c1-23-22(29)24-20(27)16-32-21(28)18-8-5-9-19(14-18)33(30,31)26-12-10-25(11-13-26)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3,(H2,23,24,27,29)