5-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-(3-pyrrolidinosulfonylphenyl)benzothiophene-2-carboxamide Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S2/c23-19(18-11-13-10-15(22(24)25)6-7-17(13)28-18)20-14-4-3-5-16(12-14)29(26,27)21-8-1-2-9-21/h3-7,10-12H,1-2,8-9H2,(H,20,23)