1-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]ethanone

Systemtic Name: 1-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]ethanone Openeye Name: 1-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]ethanone CAS Name: 1-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]ethanone IUPAC Name: 1-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]ethanone Traditional Name: 1-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]ethanone Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32

InChI

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