N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-methyl-3-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)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

InChI

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