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

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-3,5-dihydro-2H-4,1-benzothiazepine Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-3,5-dihydro-2H-4,1-benzothiazepine CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzothiazepine IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzothiazepine Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-3,5-dihydro-2H-4,1-benzothiazepine Formula: C15H13ClN2O4S2 MolecularWeight: 384.85772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN2O4S2/c16-13-6-5-12(9-15(13)18(19)20)24(21,22)17-7-8-23-10-11-3-1-2-4-14(11)17/h1-6,9H,7-8,10H2