2-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]-N-[(1S)-1-phenylethyl]benzamide

Systemtic Name: 2-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]-N-[(1S)-1-phenylethyl]benzamide Openeye Name: 2-[[2-(3,5-dimethyl-N-methylsulfonyl-anilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide CAS Name: 2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-N-[(1S)-1-phenylethyl]benzamide IUPAC Name: 2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide Traditional Name: 2-[[2-(N-mesyl-3,5-dimethyl-anilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N[C@@H](C)C3=CC=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C26H29N3O4S/c1-18-14-19(2)16-22(15-18)29(34(4,32)33)17-25(30)28-24-13-9-8-12-23(24)26(31)27-20(3)21-10-6-5-7-11-21/h5-16,20H,17H2,1-4H3,(H,27,31)(H,28,30)/t20-/m0/s1