2-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[2-(4-methyl-N-methylsulfonyl-anilino)propanoylamino]-N-phenethyl-benzamide CAS Name: 2-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[2-(4-methyl-N-methylsulfonylanilino)propanoylamino]-N-phenethylbenzamide Traditional Name: 2-[2-(N-mesyl-4-methyl-anilino)propanoylamino]-N-phenethyl-benzamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C26H29N3O4S/c1-19-13-15-22(16-14-19)29(34(3,32)33)20(2)25(30)28-24-12-8-7-11-23(24)26(31)27-18-17-21-9-5-4-6-10-21/h4-16,20H,17-18H2,1-3H3,(H,27,31)(H,28,30)