methyl 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylphenyl)methylsulfanyl]butanoate

Systemtic Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylphenyl)methylsulfanyl]butanoate Openeye Name: methyl 2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-4-[(4-phenylphenyl)methylsulfanyl]butanoate CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylphenyl)methylthio]butanoic acid methyl ester IUPAC Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylphenyl)methylsulfanyl]butanoate Traditional Name: 2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-4-[(4-phenylbenzyl)thio]butyric acid methyl ester Formula: C29H35NO5S2 MolecularWeight: 541.7219

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCSCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN(C(CCSCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C29H35NO5S2/c1-22(2)20-30(37(32,33)27-16-14-26(34-3)15-17-27)28(29(31)35-4)18-19-36-21-23-10-12-25(13-11-23)24-8-6-5-7-9-24/h5-17,22,28H,18-21H2,1-4H3