(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(2-methyl-5-methylsulfonyl-phenyl)methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(2-methyl-5-methylsulfonyl-phenyl)methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(2-methyl-5-methylsulfonyl-phenyl)methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(2-methyl-5-methylsulfonylphenyl)methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(2-methyl-5-methylsulfonylphenyl)methanone Traditional Name: (5-mesyl-2-methyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C19H21NO3S2 MolecularWeight: 375.50494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S2/c1-13-8-9-15(25(3,22)23)12-16(13)19(21)20-11-10-14(2)24-18-7-5-4-6-17(18)20/h4-9,12,14H,10-11H2,1-3H3