methyl (2R)-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(phenylmethylsulfanyl)butanoate

Systemtic Name: methyl (2R)-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(phenylmethylsulfanyl)butanoate Openeye Name: methyl (2R)-4-benzylsulfanyl-2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]butanoate CAS Name: (2R)-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(phenylmethylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-4-benzylsulfanyl-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butanoate Traditional Name: (2R)-4-(benzylthio)-2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]butyric acid methyl ester Formula: C23H31NO5S2 MolecularWeight: 465.62594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CN([C@H](CCSCC1=CC=CC=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C23H31NO5S2/c1-18(2)16-24(31(26,27)21-12-10-20(28-3)11-13-21)22(23(25)29-4)14-15-30-17-19-8-6-5-7-9-19/h5-13,18,22H,14-17H2,1-4H3/t22-/m1/s1