1-(5-chloranyl-4-nitro-thiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine

Systemtic Name: 1-(5-chloranyl-4-nitro-thiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine Openeye Name: 1-[(5-chloro-4-nitro-2-thienyl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepine CAS Name: 1-[(5-chloro-4-nitro-2-thiophenyl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepine IUPAC Name: 1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine Traditional Name: 1-[(5-chloro-4-nitro-2-thienyl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepine Formula: C14H13ClN2O4S2 MolecularWeight: 372.84702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=CC=CC=C2C1)S(=O)(=O)C3=CC(=C(S3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C2=CC=CC=C2C1)S(=O)(=O)C3=CC(=C(S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN2O4S2/c15-14-12(17(18)19)9-13(22-14)23(20,21)16-8-4-3-6-10-5-1-2-7-11(10)16/h1-2,5,7,9H,3-4,6,8H2