5-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C17H19NO4S2 MolecularWeight: 365.46706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4S2/c1-21-15-9-8-13(12-16(15)22-2)24(19,20)18-10-5-11-23-17-7-4-3-6-14(17)18/h3-4,6-9,12H,5,10-11H2,1-2H3