2-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[2-(3,5-dimethyl-N-methylsulfonyl-anilino)acetyl]amino]benzamide CAS Name: 2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-(N-mesyl-3,5-dimethyl-anilino)acetyl]amino]benzamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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