2-[4-[(3-methylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[4-[(3-methylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[4-(3-methyl-N-methylsulfonyl-anilino)butanoylamino]benzamide CAS Name: 2-[[4-(3-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[4-(3-methyl-N-methylsulfonylanilino)butanoylamino]benzamide Traditional Name: N-benzyl-2-[4-(N-mesyl-3-methyl-anilino)butanoylamino]benzamide Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C26H29N3O4S/c1-20-10-8-13-22(18-20)29(34(2,32)33)17-9-16-25(30)28-24-15-7-6-14-23(24)26(31)27-19-21-11-4-3-5-12-21/h3-8,10-15,18H,9,16-17,19H2,1-2H3,(H,27,31)(H,28,30)