N-[4-(3-methylbutanoylamino)phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-mesitylsulfonyl-isonipecotamide Formula: C26H35N3O4S MolecularWeight: 485.6388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4S/c1-17(2)14-24(30)27-22-6-8-23(9-7-22)28-26(31)21-10-12-29(13-11-21)34(32,33)25-19(4)15-18(3)16-20(25)5/h6-9,15-17,21H,10-14H2,1-5H3,(H,27,30)(H,28,31)