[2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[[3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-[3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-[3-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H26N2O6S/c1-4-5-13-28-18-11-9-16(10-12-18)21(25)29-15-20(24)22-17-7-6-8-19(14-17)30(26,27)23(2)3/h6-12,14H,4-5,13,15H2,1-3H3,(H,22,24)