N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-nitro-benzenesulfonamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-nitro-benzenesulfonamide Formula: C15H13N3O4S2 MolecularWeight: 363.41142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H13N3O4S2/c16-9-13-12-6-1-2-7-14(12)23-15(13)17-24(21,22)11-5-3-4-10(8-11)18(19)20/h3-5,8,17H,1-2,6-7H2