N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-cyclopropylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-cyclopropylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-[cyclopropyl(oxo)methyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(cyclopropanecarbonyl)isonipecotamide Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H33N3O4S/c1-17-6-9-20(16-21(17)31(29,30)26-12-4-2-3-5-13-26)24-22(27)18-10-14-25(15-11-18)23(28)19-7-8-19/h6,9,16,18-19H,2-5,7-8,10-15H2,1H3,(H,24,27)