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

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-5-nitro-benzothiophene-2-carboxamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S2/c1-14-5-7-17(31(28,29)23-9-3-2-4-10-23)13-18(14)22-21(25)20-12-15-11-16(24(26)27)6-8-19(15)30-20/h5-8,11-13H,2-4,9-10H2,1H3,(H,22,25)