dimethyl 2-[4-[[2-(3-methoxycarbonyloxy-3-methyl-but-1-ynyl)phenyl]-(4-methylphenyl)sulfonyl-amino]but-2-ynyl]-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-[4-[[2-(3-methoxycarbonyloxy-3-methyl-but-1-ynyl)phenyl]-(4-methylphenyl)sulfonyl-amino]but-2-ynyl]-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-[4-[2-(3-methoxycarbonyloxy-3-methyl-but-1-ynyl)-N-(p-tolylsulfonyl)anilino]but-2-ynyl]-2-prop-2-ynyl-propanedioate CAS Name: 2-[4-[2-(3-methoxycarbonyloxy-3-methylbut-1-ynyl)-N-(4-methylphenyl)sulfonylanilino]but-2-ynyl]-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-[2-(3-methoxycarbonyloxy-3-methylbut-1-ynyl)-N-(4-methylphenyl)sulfonylanilino]but-2-ynyl]-2-prop-2-ynylpropanedioate Traditional Name: 2-[4-[2-(3-carbomethoxyoxy-3-methyl-but-1-ynyl)-N-tosyl-anilino]but-2-ynyl]-2-propargyl-malonic acid dimethyl ester Formula: C32H33NO9S MolecularWeight: 607.67072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC#CCC(CC#C)(C(=O)OC)C(=O)OC)C2=CC=CC=C2C#CC(C)(C)OC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC#CCC(CC#C)(C(=O)OC)C(=O)OC)C2=CC=CC=C2C#CC(C)(C)OC(=O)OC

InChI

InChI=1S/C32H33NO9S/c1-8-20-32(28(34)39-5,29(35)40-6)21-11-12-23-33(43(37,38)26-17-15-24(2)16-18-26)27-14-10-9-13-25(27)19-22-31(3,4)42-30(36)41-7/h1,9-10,13-18H,20-21,23H2,2-7H3