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

Systemtic Name: 2-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[2-(4-methyl-N-methylsulfonyl-anilino)butanoylamino]-N-phenethyl-benzamide CAS Name: 2-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[2-(4-methyl-N-methylsulfonylanilino)butanoylamino]-N-phenethylbenzamide Traditional Name: 2-[2-(N-mesyl-4-methyl-anilino)butanoylamino]-N-phenethyl-benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)N(C3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)N(C3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C27H31N3O4S/c1-4-25(30(35(3,33)34)22-16-14-20(2)15-17-22)27(32)29-24-13-9-8-12-23(24)26(31)28-19-18-21-10-6-5-7-11-21/h5-17,25H,4,18-19H2,1-3H3,(H,28,31)(H,29,32)