methyl 1-[3-methyl-4-(methylsulfonylamino)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[3-methyl-4-(methylsulfonylamino)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-(methanesulfonamido)-3-methyl-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-(methanesulfonamido)-3-methylphenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(methanesulfonamido)-3-methylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(methanesulfonamido)-3-methyl-benzoyl]isonipecotic acid methyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O)C

InChI

InChI=1S/C16H22N2O5S/c1-11-10-13(4-5-14(11)17-24(3,21)22)15(19)18-8-6-12(7-9-18)16(20)23-2/h4-5,10,12,17H,6-9H2,1-3H3