3-chloranyl-6-nitro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-nitro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-nitro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-nitro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzothiophene-2-carboxamide Formula: C17H14ClN3O5S2 MolecularWeight: 439.89316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)S(=O)(=O)N

InChI

InChI=1S/C17H14ClN3O5S2/c18-15-13-6-3-11(21(23)24)9-14(13)27-16(15)17(22)20-8-7-10-1-4-12(5-2-10)28(19,25)26/h1-6,9H,7-8H2,(H,20,22)(H2,19,25,26)