N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-2-[(4-nitrophenyl)thio]acetamide Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H23N3O6S2/c1-29-18-10-5-15(13-19(18)31(27,28)22-11-3-2-4-12-22)21-20(24)14-30-17-8-6-16(7-9-17)23(25)26/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,24)