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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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