2-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[2-(4-methyl-N-methylsulfonyl-anilino)propanoylamino]benzamide CAS Name: 2-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[2-(4-methyl-N-methylsulfonylanilino)propanoylamino]benzamide Traditional Name: N-benzyl-2-[2-(N-mesyl-4-methyl-anilino)propanoylamino]benzamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-18-13-15-21(16-14-18)28(33(3,31)32)19(2)24(29)27-23-12-8-7-11-22(23)25(30)26-17-20-9-5-4-6-10-20/h4-16,19H,17H2,1-3H3,(H,26,30)(H,27,29)