1-(2-cyanophenyl)sulfonyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-cyanophenyl)sulfonyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide Openeye Name: 1-(2-cyanophenyl)sulfonyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide CAS Name: 1-(2-cyanophenyl)sulfonyl-N-[2-methyl-5-[(2-methyl-1-oxopropyl)amino]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-cyanophenyl)sulfonyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide Traditional Name: 1-(2-cyanophenyl)sulfonyl-N-[5-(isobutyrylamino)-2-methyl-phenyl]isonipecotamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C24H28N4O4S/c1-16(2)23(29)26-20-9-8-17(3)21(14-20)27-24(30)18-10-12-28(13-11-18)33(31,32)22-7-5-4-6-19(22)15-25/h4-9,14,16,18H,10-13H2,1-3H3,(H,26,29)(H,27,30)