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

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

CC1=CC=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C25H28N4O4S/c1-19-11-13-21(14-12-19)29(34(2,32)33)16-6-10-24(30)28-23-9-4-3-8-22(23)25(31)27-18-20-7-5-15-26-17-20/h3-5,7-9,11-15,17H,6,10,16,18H2,1-2H3,(H,27,31)(H,28,30)