methyl 1-[2-[(3-methylphenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(3-methylphenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[N-(benzenesulfonyl)-3-methyl-anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[N-(benzenesulfonyl)-3-methylanilino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-besyl-3-methyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-17-7-6-8-19(15-17)24(30(27,28)20-9-4-3-5-10-20)16-21(25)23-13-11-18(12-14-23)22(26)29-2/h3-10,15,18H,11-14,16H2,1-2H3