3-chloranyl-N-[4-[di(propan-2-yl)sulfamoyl]phenyl]-6-nitro-1-benzothiophene-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)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

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