methyl 2-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylethanoate Openeye Name: methyl 2-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]acetic acid methyl ester Formula: C15H20N2O6S2 MolecularWeight: 388.4591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6S2/c1-11-5-7-16(8-6-11)25(21,22)12-3-4-14(13(9-12)17(19)20)24-10-15(18)23-2/h3-4,9,11H,5-8,10H2,1-2H3