N-methyl-3-[3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]propanoylamino]benzamide

Systemtic Name: N-methyl-3-[3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]propanoylamino]benzamide Openeye Name: N-methyl-3-[3-[4-methyl-N-(p-tolylsulfonyl)anilino]propanoylamino]benzamide CAS Name: N-methyl-3-[[3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxopropyl]amino]benzamide IUPAC Name: N-methyl-3-[3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanoylamino]benzamide Traditional Name: N-methyl-3-[3-(4-methyl-N-tosyl-anilino)propanoylamino]benzamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC(=O)NC2=CC=CC(=C2)C(=O)NC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC(=O)NC2=CC=CC(=C2)C(=O)NC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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