methyl 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(thiophen-3-ylmethylsulfanyl)butanoate

Systemtic Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(thiophen-3-ylmethylsulfanyl)butanoate Openeye Name: methyl 2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-4-(3-thienylmethylsulfanyl)butanoate CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(3-thiophenylmethylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(thiophen-3-ylmethylsulfanyl)butanoate Traditional Name: 2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-4-(3-thenylthio)butyric acid methyl ester Formula: C21H29NO5S3 MolecularWeight: 471.65366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5S3/c1-16(2)13-22(30(24,25)19-7-5-18(26-3)6-8-19)20(21(23)27-4)10-12-29-15-17-9-11-28-14-17/h5-9,11,14,16,20H,10,12-13,15H2,1-4H3