N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]phenyl]carbonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]phenyl]carbonyl-piperidine-3-carboxamide Openeye Name: N-isopentyl-1-[3-(o-tolylsulfonylamino)benzoyl]piperidine-3-carboxamide CAS Name: N-(3-methylbutyl)-1-[[3-[(2-methylphenyl)sulfonylamino]phenyl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide Traditional Name: N-isoamyl-1-[3-(o-tolylsulfonylamino)benzoyl]nipecotamide Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCC(C3)C(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCC(C3)C(=O)NCCC(C)C

InChI

InChI=1S/C25H33N3O4S/c1-18(2)13-14-26-24(29)21-10-7-15-28(17-21)25(30)20-9-6-11-22(16-20)27-33(31,32)23-12-5-4-8-19(23)3/h4-6,8-9,11-12,16,18,21,27H,7,10,13-15,17H2,1-3H3,(H,26,29)