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

Systemtic Name: 2-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)propanoylamino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[2-(5-chloro-N-mesyl-2-methyl-anilino)propanoylamino]-N-(3-pyridylmethyl)benzamide Formula: C24H25ClN4O4S MolecularWeight: 500.9977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O4S/c1-16-10-11-19(25)13-22(16)29(34(3,32)33)17(2)23(30)28-21-9-5-4-8-20(21)24(31)27-15-18-7-6-12-26-14-18/h4-14,17H,15H2,1-3H3,(H,27,31)(H,28,30)