3-chloranyl-N-[4-(dipropylsulfamoyl)phenyl]-6-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(dipropylsulfamoyl)phenyl]-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(dipropylsulfamoyl)phenyl]-6-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(dipropylsulfamoyl)phenyl]-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(dipropylsulfamoyl)phenyl]-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(dipropylsulfamoyl)phenyl]-6-nitro-benzothiophene-2-carboxamide Formula: C21H22ClN3O5S2 MolecularWeight: 495.99948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O5S2/c1-3-11-24(12-4-2)32(29,30)16-8-5-14(6-9-16)23-21(26)20-19(22)17-10-7-15(25(27)28)13-18(17)31-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,26)