5-(3-bromanyl-4-methoxy-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-(3-bromanyl-4-methoxy-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(3-bromo-4-methoxy-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(3-bromo-4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(3-bromo-4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(3-bromo-4-methoxy-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C16H16BrNO3S2 MolecularWeight: 414.33714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32)Br

InChI

InChI=1S/C16H16BrNO3S2/c1-21-15-8-7-12(11-13(15)17)23(19,20)18-9-4-10-22-16-6-3-2-5-14(16)18/h2-3,5-8,11H,4,9-10H2,1H3