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

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-methylsulfonylphenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-methylsulfonylphenyl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-methylsulfonylphenyl)methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-methylsulfonylphenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-mesylphenyl)methanone Formula: C17H17NO3S2 MolecularWeight: 347.45178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C17H17NO3S2/c1-23(20,21)14-7-4-6-13(12-14)17(19)18-10-5-11-22-16-9-3-2-8-15(16)18/h2-4,6-9,12H,5,10-11H2,1H3