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

Systemtic Name: 5-(4-methyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(4-methyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(4-methyl-3-nitrophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(4-methyl-3-nitrophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(4-methyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4S2/c1-12-7-8-13(11-15(12)18(19)20)24(21,22)17-9-4-10-23-16-6-3-2-5-14(16)17/h2-3,5-8,11H,4,9-10H2,1H3