[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] 3-methylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] 3-methylbenzoate Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-17-6-5-9-19(14-17)21(25)28-15-20(24)22-10-12-23(13-11-22)29(26,27)16-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3