2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(3-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(3-methylsulfonylphenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(3-methylsulfonylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(3-mesylphenyl)acetamide Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCCSC3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCCSC3=CC=CC=C32

InChI

InChI=1S/C18H20N2O3S2/c1-25(22,23)15-7-4-6-14(12-15)19-18(21)13-20-10-5-11-24-17-9-3-2-8-16(17)20/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,19,21)