[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H28N2O5S/c1-17-7-6-8-20(15-17)24-23(27)18(2)30-22(26)16-19-9-11-21(12-10-19)31(28,29)25-13-4-3-5-14-25/h6-12,15,18H,3-5,13-14,16H2,1-2H3,(H,24,27)