4-(5-chloranyl-4-nitro-thiophen-2-yl)sulfonyl-5,6,7,8-tetrahydrothieno[3,2-b]azepine

Systemtic Name: 4-(5-chloranyl-4-nitro-thiophen-2-yl)sulfonyl-5,6,7,8-tetrahydrothieno[3,2-b]azepine Openeye Name: 4-[(5-chloro-4-nitro-2-thienyl)sulfonyl]-5,6,7,8-tetrahydrothieno[3,2-b]azepine CAS Name: 4-[(5-chloro-4-nitro-2-thiophenyl)sulfonyl]-5,6,7,8-tetrahydrothieno[3,2-b]azepine IUPAC Name: 4-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-5,6,7,8-tetrahydrothieno[3,2-b]azepine Traditional Name: 4-[(5-chloro-4-nitro-2-thienyl)sulfonyl]-5,6,7,8-tetrahydrothien[3,2-b]azepine Formula: C12H11ClN2O4S3 MolecularWeight: 378.87474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=C(C1)SC=C2)S(=O)(=O)C3=CC(=C(S3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C2=C(C1)SC=C2)S(=O)(=O)C3=CC(=C(S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H11ClN2O4S3/c13-12-9(15(16)17)7-11(21-12)22(18,19)14-5-2-1-3-10-8(14)4-6-20-10/h4,6-7H,1-3,5H2