1-[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]piperidine-4-carboxamide CAS Name: 1-[[5-(1-azepanylsulfonyl)-2-methylphenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]piperidine-4-carboxamide Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]isonipecotamide Formula: C20H29N3O4S MolecularWeight: 407.52696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H29N3O4S/c1-15-6-7-17(28(26,27)23-10-4-2-3-5-11-23)14-18(15)20(25)22-12-8-16(9-13-22)19(21)24/h6-7,14,16H,2-5,8-13H2,1H3,(H2,21,24)