N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(2-methoxy-5-piperidinosulfonyl-phenyl)-5-nitro-benzothiophene-2-carboxamide Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

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