1-(4-nitrothiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine

Systemtic Name: 1-(4-nitrothiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine Openeye Name: 1-[(4-nitro-2-thienyl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepine CAS Name: 1-[(4-nitro-2-thiophenyl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepine IUPAC Name: 1-(4-nitrothiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine Traditional Name: 1-[(4-nitro-2-thienyl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepine Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=CC=CC=C2C1)S(=O)(=O)C3=CC(=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C2=CC=CC=C2C1)S(=O)(=O)C3=CC(=CS3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O4S2/c17-16(18)12-9-14(21-10-12)22(19,20)15-8-4-3-6-11-5-1-2-7-13(11)15/h1-2,5,7,9-10H,3-4,6,8H2