3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfonyl-benzamide

Systemtic Name: 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfonyl-benzamide Openeye Name: 3-acetamido-N-isopentyl-4-(p-tolylsulfonyl)benzamide CAS Name: 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfonylbenzamide IUPAC Name: 3-acetamido-N-(3-methylbutyl)-4-(4-methylphenyl)sulfonylbenzamide Traditional Name: 3-acetamido-N-isoamyl-4-tosyl-benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)NCCC(C)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)NCCC(C)C)NC(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-14(2)11-12-22-21(25)17-7-10-20(19(13-17)23-16(4)24)28(26,27)18-8-5-15(3)6-9-18/h5-10,13-14H,11-12H2,1-4H3,(H,22,25)(H,23,24)