[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-16-6-5-7-18(14-16)22-20(24)15-28-21(25)17-8-10-19(11-9-17)29(26,27)23-12-3-2-4-13-23/h5-11,14H,2-4,12-13,15H2,1H3,(H,22,24)