5-nitro-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-1-benzothiophene-2-carbohydrazide

Systemtic Name: 5-nitro-N'-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-1-benzothiophene-2-carbohydrazide Openeye Name: 5-nitro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzothiophene-2-carbohydrazide CAS Name: 5-nitro-N'-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-benzothiophene-2-carbohydrazide IUPAC Name: 5-nitro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1-benzothiophene-2-carbohydrazide Traditional Name: 5-nitro-N'-(4-pyrrolidinosulfonylbenzoyl)benzothiophene-2-carbohydrazide Formula: C20H18N4O6S2 MolecularWeight: 474.51012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6S2/c25-19(13-3-6-16(7-4-13)32(29,30)23-9-1-2-10-23)21-22-20(26)18-12-14-11-15(24(27)28)5-8-17(14)31-18/h3-8,11-12H,1-2,9-10H2,(H,21,25)(H,22,26)