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

Systemtic Name: methyl 2-[2-methylpropyl-(4-phenylphenyl)sulfonyl-amino]-4-(phenylmethylsulfanyl)butanoate Openeye Name: methyl 4-benzylsulfanyl-2-[isobutyl-(4-phenylphenyl)sulfonyl-amino]butanoate CAS Name: 2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]-4-(phenylmethylthio)butanoic acid methyl ester IUPAC Name: methyl 4-benzylsulfanyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanoate Traditional Name: 4-(benzylthio)-2-[isobutyl-(4-phenylphenyl)sulfonyl-amino]butyric acid methyl ester Formula: C28H33NO4S2 MolecularWeight: 511.69592

Click to see the large picture

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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C28H33NO4S2/c1-22(2)20-29(27(28(30)33-3)18-19-34-21-23-10-6-4-7-11-23)35(31,32)26-16-14-25(15-17-26)24-12-8-5-9-13-24/h4-17,22,27H,18-21H2,1-3H3