N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-5-nitro-benzothiophene-2-carboxamide Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O6S2/c1-2-30-17-7-5-15(13-20(17)32(28,29)23-9-3-4-10-23)22-21(25)19-12-14-11-16(24(26)27)6-8-18(14)31-19/h5-8,11-13H,2-4,9-10H2,1H3,(H,22,25)