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

Systemtic Name: 2-[2-methylpropyl-(4-phenylphenyl)sulfonyl-amino]-4-(phenylmethylsulfanyl)butanoic acid Openeye Name: 4-benzylsulfanyl-2-[isobutyl-(4-phenylphenyl)sulfonyl-amino]butanoic acid CAS Name: 2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]-4-(phenylmethylthio)butanoic acid IUPAC Name: 4-benzylsulfanyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-(benzylthio)-2-[isobutyl-(4-phenylphenyl)sulfonyl-amino]butyric acid Formula: C27H31NO4S2 MolecularWeight: 497.66934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO4S2/c1-21(2)19-28(26(27(29)30)17-18-33-20-22-9-5-3-6-10-22)34(31,32)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-16,21,26H,17-20H2,1-2H3,(H,29,30)