2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]-N-phenethyl-benzamide CAS Name: 2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[2-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-phenethylbenzamide Traditional Name: 2-[2-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]-N-phenethyl-benzamide Formula: C28H33N3O4S MolecularWeight: 507.64432

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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)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)C)S(=O)(=O)C

InChI

InChI=1S/C28H33N3O4S/c1-5-26(31(36(4,34)35)23-16-15-20(2)21(3)19-23)28(33)30-25-14-10-9-13-24(25)27(32)29-18-17-22-11-7-6-8-12-22/h6-16,19,26H,5,17-18H2,1-4H3,(H,29,32)(H,30,33)