1-(3,4-dimethylphenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[4-(isobutyrylamino)phenyl]isonipecotamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C(C)C)C

InChI

InChI=1S/C24H31N3O4S/c1-16(2)23(28)25-20-6-8-21(9-7-20)26-24(29)19-11-13-27(14-12-19)32(30,31)22-10-5-17(3)18(4)15-22/h5-10,15-16,19H,11-14H2,1-4H3,(H,25,28)(H,26,29)