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

Systemtic Name: 2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[2-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[2-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]-N-(3-pyridylmethyl)benzamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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

InChI

InChI=1S/C26H30N4O4S/c1-5-24(30(35(4,33)34)21-13-12-18(2)19(3)15-21)26(32)29-23-11-7-6-10-22(23)25(31)28-17-20-9-8-14-27-16-20/h6-16,24H,5,17H2,1-4H3,(H,28,31)(H,29,32)