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

Systemtic Name: 5-(4-bromanyl-3-methyl-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(4-bromo-3-methyl-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(4-bromo-3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(4-bromo-3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(4-bromo-3-methyl-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C16H16BrNO2S2 MolecularWeight: 398.33774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32)Br

InChI

InChI=1S/C16H16BrNO2S2/c1-12-11-13(7-8-14(12)17)22(19,20)18-9-4-10-21-16-6-3-2-5-15(16)18/h2-3,5-8,11H,4,9-10H2,1H3