[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(ethylsulfamoyl)benzoate

Systemtic Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(ethylsulfamoyl)benzoate Openeye Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-(ethylsulfamoyl)benzoate CAS Name: 3-(ethylsulfamoyl)benzoic acid [2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate Traditional Name: 3-(ethylsulfamoyl)benzoic acid [2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CCCOC)C

Isomeric SMILES

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CCCOC)C

InChI

InChI=1S/C21H28N2O6S/c1-5-22-30(26,27)18-9-6-8-17(13-18)21(25)29-14-20(24)19-12-15(2)23(16(19)3)10-7-11-28-4/h6,8-9,12-13,22H,5,7,10-11,14H2,1-4H3