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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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