2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylphenyl)methylsulfanyl]butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylphenyl)methylsulfanyl]butanoic acid Openeye Name: 2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-4-[(4-phenylphenyl)methylsulfanyl]butanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylphenyl)methylthio]butanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylphenyl)methylsulfanyl]butanoic acid Traditional Name: 2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-4-[(4-phenylbenzyl)thio]butyric acid Formula: C28H33NO5S2 MolecularWeight: 527.69532

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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)O)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)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H33NO5S2/c1-21(2)19-29(36(32,33)26-15-13-25(34-3)14-16-26)27(28(30)31)17-18-35-20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h4-16,21,27H,17-20H2,1-3H3,(H,30,31)