N-[(2R)-1-[2-(3-chlorophenyl)ethylamino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2R)-1-[2-(3-chlorophenyl)ethylamino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1R)-1-[2-(3-chlorophenyl)ethylcarbamoyl]-3-methylsulfonyl-propyl]-3-methyl-benzamide CAS Name: N-[(2R)-1-[2-(3-chlorophenyl)ethylamino]-4-methylsulfonyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2R)-1-[2-(3-chlorophenyl)ethylamino]-4-methylsulfonyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1R)-1-[2-(3-chlorophenyl)ethylcarbamoyl]-3-mesyl-propyl]-3-methyl-benzamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)NCCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCS(=O)(=O)C)C(=O)NCCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-15-5-3-7-17(13-15)20(25)24-19(10-12-29(2,27)28)21(26)23-11-9-16-6-4-8-18(22)14-16/h3-8,13-14,19H,9-12H2,1-2H3,(H,23,26)(H,24,25)/t19-/m1/s1