[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)amino]benzoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)amino]benzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-(4-methylanilino)benzoate CAS Name: 2-(4-methylanilino)benzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(4-methylanilino)benzoate Traditional Name: 2-(p-toluidino)benzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O5S/c1-16-7-9-17(10-8-16)22-19-6-4-3-5-18(19)21(26)29-15-20(25)23-11-13-24(14-12-23)30(2,27)28/h3-10,22H,11-15H2,1-2H3