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

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-ethoxybenzoate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H26N2O6S/c1-2-32-23-10-6-5-9-22(23)25(29)33-18-24(28)26-13-15-27(16-14-26)34(30,31)21-12-11-19-7-3-4-8-20(19)17-21/h3-12,17H,2,13-16,18H2,1H3