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

Systemtic Name: 5-(2-methoxy-5-nitro-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(2-methoxy-5-nitro-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(2-methoxy-5-nitrophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(2-methoxy-5-nitrophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(2-methoxy-5-nitro-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C16H16N2O5S2/c1-23-14-8-7-12(18(19)20)11-16(14)25(21,22)17-9-4-10-24-15-6-3-2-5-13(15)17/h2-3,5-8,11H,4,9-10H2,1H3