2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(1-phenylethyl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H33N3O4S/c1-6-26(31(36(5,34)35)23-17-16-19(2)20(3)18-23)28(33)30-25-15-11-10-14-24(25)27(32)29-21(4)22-12-8-7-9-13-22/h7-18,21,26H,6H2,1-5H3,(H,29,32)(H,30,33)