1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(2-methyl-5-methylsulfonyl-phenyl)amino]ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(2-methyl-5-methylsulfonyl-phenyl)amino]ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(2-methyl-5-methylsulfonyl-anilino)ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(2-methyl-5-methylsulfonylanilino)ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(2-methyl-5-methylsulfonylanilino)ethanone Traditional Name: 2-(5-mesyl-2-methyl-anilino)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CNC3=C(C=CC(=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CNC3=C(C=CC(=C3)S(=O)(=O)C)C

InChI

InChI=1S/C20H24N2O3S2/c1-14-8-9-16(27(3,24)25)12-17(14)21-13-20(23)22-11-10-15(2)26-19-7-5-4-6-18(19)22/h4-9,12,15,21H,10-11,13H2,1-3H3