2-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[2-(2,5-dimethyl-N-methylsulfonyl-anilino)propanoylamino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[2-(2,5-dimethyl-N-methylsulfonylanilino)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[2-(N-mesyl-2,5-dimethyl-anilino)propanoylamino]-N-(3-pyridylmethyl)benzamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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