[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-ethylsulfinylbenzoate

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-ethylsulfinylbenzoate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-ethylsulfinylbenzoate CAS Name: 2-ethylsulfinylbenzoic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-ethylsulfinylbenzoate Traditional Name: 2-ethylsulfinylbenzoic acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23ClN2O4S/c1-2-29(27)19-9-4-3-8-18(19)21(26)28-15-20(25)24-12-10-23(11-13-24)17-7-5-6-16(22)14-17/h3-9,14H,2,10-13,15H2,1H3