[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H25N3O6S/c1-18(29)26-22-8-4-7-21(15-22)25(31)34-17-24(30)27-11-13-28(14-12-27)35(32,33)23-10-9-19-5-2-3-6-20(19)16-23/h2-10,15-16H,11-14,17H2,1H3,(H,26,29)