N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-[(4-nitrophenyl)thio]acetamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S2/c1-15-5-10-18(30(27,28)22-11-3-2-4-12-22)13-19(15)21-20(24)14-29-17-8-6-16(7-9-17)23(25)26/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,24)