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

Systemtic Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylmethoxyphenyl)methylsulfanyl]butanoate Openeye Name: methyl 4-[(4-benzyloxyphenyl)methylsulfanyl]-2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]butanoate CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylmethoxyphenyl)methylthio]butanoic acid methyl ester IUPAC Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-[(4-phenylmethoxyphenyl)methylsulfanyl]butanoate Traditional Name: 4-[(4-benzoxybenzyl)thio]-2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]butyric acid methyl ester Formula: C30H37NO6S2 MolecularWeight: 571.74788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCSCC1=CC=C(C=C1)OCC2=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)OCC2=CC=CC=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C30H37NO6S2/c1-23(2)20-31(39(33,34)28-16-14-26(35-3)15-17-28)29(30(32)36-4)18-19-38-22-25-10-12-27(13-11-25)37-21-24-8-6-5-7-9-24/h5-17,23,29H,18-22H2,1-4H3