methyl 3-methyl-2-[2-[3-[(4-methylphenyl)sulfonylamino]-2,6-bis(oxidanylidene)piperidin-1-yl]propanoylamino]butanoate

Systemtic Name: methyl 3-methyl-2-[2-[3-[(4-methylphenyl)sulfonylamino]-2,6-bis(oxidanylidene)piperidin-1-yl]propanoylamino]butanoate Openeye Name: methyl 2-[2-[2,6-dioxo-3-(p-tolylsulfonylamino)-1-piperidyl]propanoylamino]-3-methyl-butanoate CAS Name: 3-methyl-2-[[2-[3-[(4-methylphenyl)sulfonylamino]-2,6-dioxo-1-piperidinyl]-1-oxopropyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[2-[3-[(4-methylphenyl)sulfonylamino]-2,6-dioxopiperidin-1-yl]propanoylamino]butanoate Traditional Name: 2-[2-[2,6-diketo-3-(tosylamino)piperidino]propanoylamino]-3-methyl-butyric acid methyl ester Formula: C21H29N3O7S MolecularWeight: 467.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CCC(=O)N(C2=O)C(C)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2CCC(=O)N(C2=O)C(C)C(=O)NC(C(C)C)C(=O)OC

InChI

InChI=1S/C21H29N3O7S/c1-12(2)18(21(28)31-5)22-19(26)14(4)24-17(25)11-10-16(20(24)27)23-32(29,30)15-8-6-13(3)7-9-15/h6-9,12,14,16,18,23H,10-11H2,1-5H3,(H,22,26)