2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)propanoylamino]benzamide CAS Name: 2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[2-(3,4-dimethyl-N-methylsulfonylanilino)propanoylamino]benzamide Traditional Name: N-benzyl-2-[2-(N-mesyl-3,4-dimethyl-anilino)propanoylamino]benzamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4S/c1-18-14-15-22(16-19(18)2)29(34(4,32)33)20(3)25(30)28-24-13-9-8-12-23(24)26(31)27-17-21-10-6-5-7-11-21/h5-16,20H,17H2,1-4H3,(H,27,31)(H,28,30)