1-(4-nitrophenyl)sulfonyl-2,3,6,7-tetrahydroazepine

Systemtic Name: 1-(4-nitrophenyl)sulfonyl-2,3,6,7-tetrahydroazepine Openeye Name: 1-(4-nitrophenyl)sulfonyl-2,3,6,7-tetrahydroazepine CAS Name: 1-(4-nitrophenyl)sulfonyl-2,3,6,7-tetrahydroazepine IUPAC Name: 1-(4-nitrophenyl)sulfonyl-2,3,6,7-tetrahydroazepine Traditional Name: 1-nosyl-2,3,6,7-tetrahydroazepine Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4S/c15-14(16)11-5-7-12(8-6-11)19(17,18)13-9-3-1-2-4-10-13/h1-2,5-8H,3-4,9-10H2