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

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2,4-dimethoxybenzoate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2,4-dimethoxybenzoate CAS Name: 2,4-dimethoxybenzoic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 2,4-dimethoxybenzoate Traditional Name: 2,4-dimethoxybenzoic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C25H26N2O7S/c1-32-20-8-10-22(23(16-20)33-2)25(29)34-17-24(28)26-11-13-27(14-12-26)35(30,31)21-9-7-18-5-3-4-6-19(18)15-21/h3-10,15-16H,11-14,17H2,1-2H3