N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[4-(3,5-dimethylpiperidino)sulfonylphenyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O5S2/c1-15-11-16(2)13-23(12-15)31(28,29)20-9-3-17(4-10-20)22-21(25)14-30-19-7-5-18(6-8-19)24(26)27/h3-10,15-16H,11-14H2,1-2H3,(H,22,25)