N-(5-acetamido-2-methyl-phenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(5-acetamido-2-methyl-phenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(5-acetamido-2-methyl-phenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide CAS Name: N-(5-acetamido-2-methylphenyl)-1-(benzenesulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(5-acetamido-2-methylphenyl)-1-(benzenesulfonyl)piperidine-4-carboxamide Traditional Name: N-(5-acetamido-2-methyl-phenyl)-1-besyl-isonipecotamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-15-8-9-18(22-16(2)25)14-20(15)23-21(26)17-10-12-24(13-11-17)29(27,28)19-6-4-3-5-7-19/h3-9,14,17H,10-13H2,1-2H3,(H,22,25)(H,23,26)