[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-[homoveratryl(methyl)amino]-2-keto-ethyl] ester Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C23H26N2O7S/c1-5-12-24-33(28,29)19-8-6-7-18(15-19)23(27)32-16-22(26)25(2)13-11-17-9-10-20(30-3)21(14-17)31-4/h1,6-10,14-15,24H,11-13,16H2,2-4H3