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

Systemtic Name: 5-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C15H14N2O4S2 MolecularWeight: 350.41266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O4S2/c18-17(19)12-5-3-6-13(11-12)23(20,21)16-9-4-10-22-15-8-2-1-7-14(15)16/h1-3,5-8,11H,4,9-10H2