2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-(phenylmethyl)amino]-3-phenyl-3-phenylsulfanyl-propanoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-(phenylmethyl)amino]-3-phenyl-3-phenylsulfanyl-propanoic acid Openeye Name: 2-[benzyl-[4-(4-methoxyphenyl)phenyl]sulfonyl-amino]-3-phenyl-3-phenylsulfanyl-propanoic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-(phenylmethyl)amino]-3-phenyl-3-(phenylthio)propanoic acid IUPAC Name: 2-[benzyl-[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-3-phenylsulfanylpropanoic acid Traditional Name: 2-[benzyl-[4-(4-methoxyphenyl)phenyl]sulfonyl-amino]-3-phenyl-3-(phenylthio)propionic acid Formula: C35H31NO5S2 MolecularWeight: 609.75434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C(C(C4=CC=CC=C4)SC5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C(C(C4=CC=CC=C4)SC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C35H31NO5S2/c1-41-30-21-17-27(18-22-30)28-19-23-32(24-20-28)43(39,40)36(25-26-11-5-2-6-12-26)33(35(37)38)34(29-13-7-3-8-14-29)42-31-15-9-4-10-16-31/h2-24,33-34H,25H2,1H3,(H,37,38)