[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC#C

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC#C

InChI

InChI=1S/C20H28N2O5S/c1-5-12-21-28(25,26)18-11-7-10-17(13-18)20(24)27-14-19(23)22-16(4)9-6-8-15(2)3/h1,7,10-11,13,15-16,21H,6,8-9,12,14H2,2-4H3,(H,22,23)