methyl 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(pyridin-3-ylmethylsulfanyl)butanoate

Systemtic Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(pyridin-3-ylmethylsulfanyl)butanoate Openeye Name: methyl 2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-4-(3-pyridylmethylsulfanyl)butanoate CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(3-pyridinylmethylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(pyridin-3-ylmethylsulfanyl)butanoate Traditional Name: 2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-4-(3-pyridylmethylthio)butyric acid methyl ester Formula: C22H30N2O5S2 MolecularWeight: 466.614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCSCC1=CN=CC=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CN(C(CCSCC1=CN=CC=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(26,27)20-9-7-19(28-3)8-10-20)21(22(25)29-4)11-13-30-16-18-6-5-12-23-14-18/h5-10,12,14,17,21H,11,13,15-16H2,1-4H3