methyl 7-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]heptanoate

Systemtic Name: methyl 7-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]heptanoate Openeye Name: methyl 7-[[4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoyl]amino]heptanoate CAS Name: 7-[[2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]heptanoate Traditional Name: 7-[[4-(methylthio)-2-(tosylamino)butanoyl]amino]enanthic acid methyl ester Formula: C20H32N2O5S2 MolecularWeight: 444.60848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCCCCCC(=O)OC

InChI

InChI=1S/C20H32N2O5S2/c1-16-9-11-17(12-10-16)29(25,26)22-18(13-15-28-3)20(24)21-14-7-5-4-6-8-19(23)27-2/h9-12,18,22H,4-8,13-15H2,1-3H3,(H,21,24)