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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]ethanone Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]ethanone CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]ethanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)phenyl]ethanone Traditional Name: 1-[4-(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=C(C=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

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

InChI

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