2-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[2-(4-methyl-N-methylsulfonyl-anilino)butanoylamino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[2-(4-methyl-N-methylsulfonylanilino)butanoylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[2-(N-mesyl-4-methyl-anilino)butanoylamino]-N-(3-pyridylmethyl)benzamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)NCC2=CN=CC=C2)N(C3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)NCC2=CN=CC=C2)N(C3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C25H28N4O4S/c1-4-23(29(34(3,32)33)20-13-11-18(2)12-14-20)25(31)28-22-10-6-5-9-21(22)24(30)27-17-19-8-7-15-26-16-19/h5-16,23H,4,17H2,1-3H3,(H,27,30)(H,28,31)