[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H24N2O5S/c1-16-9-11-17(12-10-16)22-20(24)15-28-21(25)18-7-3-4-8-19(18)29(26,27)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,24)