2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethyl 2-[3-(phenylcarbonyl)phenyl]propanoate

Systemtic Name: 2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethyl 2-[3-(phenylcarbonyl)phenyl]propanoate Openeye Name: 2-(1-methyl-4-nitrososulfanyl-4-piperidyl)ethyl 2-(3-benzoylphenyl)propanoate CAS Name: 2-(3-benzoylphenyl)propanoic acid 2-[1-methyl-4-(nitrosothio)-4-piperidinyl]ethyl ester IUPAC Name: 2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)ethyl 2-(3-benzoylphenyl)propanoate Traditional Name: 2-(3-benzoylphenyl)propionic acid 2-[1-methyl-4-(nitrosothio)-4-piperidyl]ethyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)OCCC3(CCN(CC3)C)SN=O

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)OCCC3(CCN(CC3)C)SN=O

InChI

InChI=1S/C24H28N2O4S/c1-18(20-9-6-10-21(17-20)22(27)19-7-4-3-5-8-19)23(28)30-16-13-24(31-25-29)11-14-26(2)15-12-24/h3-10,17-18H,11-16H2,1-2H3