methyl 2-[1-(2-nitrophenyl)sulfanylpiperidin-2-yl]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[1-(2-nitrophenyl)sulfanylpiperidin-2-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[1-(2-nitrophenyl)sulfanyl-2-piperidyl]-2-phenyl-acetate CAS Name: 2-[1-[(2-nitrophenyl)thio]-2-piperidinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[1-(2-nitrophenyl)sulfanylpiperidin-2-yl]-2-phenylacetate Traditional Name: 2-[1-[(2-nitrophenyl)thio]-2-piperidyl]-2-phenyl-acetic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCN1SC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(C1CCCCN1SC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c1-26-20(23)19(15-9-3-2-4-10-15)17-12-7-8-14-21(17)27-18-13-6-5-11-16(18)22(24)25/h2-6,9-11,13,17,19H,7-8,12,14H2,1H3