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

Systemtic Name: 2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: 2-(1-methyl-4-nitrososulfanyl-4-piperidyl)ethyl 2-(4-isobutylphenyl)propanoate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid 2-[1-methyl-4-(nitrosothio)-4-piperidinyl]ethyl ester IUPAC Name: 2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: 2-(4-isobutylphenyl)propionic acid 2-[1-methyl-4-(nitrosothio)-4-piperidyl]ethyl ester Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCC2(CCN(CC2)C)SN=O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCC2(CCN(CC2)C)SN=O

InChI

InChI=1S/C21H32N2O3S/c1-16(2)15-18-5-7-19(8-6-18)17(3)20(24)26-14-11-21(27-22-25)9-12-23(4)13-10-21/h5-8,16-17H,9-15H2,1-4H3