N-[4-(3-methylbutanoylamino)phenyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C22H29N3O4S2/c1-15(2)13-20(26)23-18-7-9-19(10-8-18)24-22(27)17-5-4-12-25(14-17)31(28,29)21-11-6-16(3)30-21/h6-11,15,17H,4-5,12-14H2,1-3H3,(H,23,26)(H,24,27)