2-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanoylamino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[4-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[4-(5-chloro-N-mesyl-2-methyl-anilino)butanoylamino]-N-(3-pyridylmethyl)benzamide Formula: C25H27ClN4O4S MolecularWeight: 515.02428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O4S/c1-18-11-12-20(26)15-23(18)30(35(2,33)34)14-6-10-24(31)29-22-9-4-3-8-21(22)25(32)28-17-19-7-5-13-27-16-19/h3-5,7-9,11-13,15-16H,6,10,14,17H2,1-2H3,(H,28,32)(H,29,31)