2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-5-(2-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: 2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-5-(2-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: 2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-5-[(2-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: 2-methyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-5-[(2-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: 2-methyl-N-[4-(3-methylbutanoylamino)phenyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[4-(isovalerylamino)phenyl]-2-methyl-5-(2-methylpiperidino)sulfonyl-benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C25H33N3O4S/c1-17(2)15-24(29)26-20-9-11-21(12-10-20)27-25(30)23-16-22(13-8-18(23)3)33(31,32)28-14-6-5-7-19(28)4/h8-13,16-17,19H,5-7,14-15H2,1-4H3,(H,26,29)(H,27,30)