ethyl 2-[[2-methyl-4-(4-pyridin-2-ylphenyl)carbonyl-piperazin-1-yl]methylsulfamoyl]ethanoate hydrochloride

Systemtic Name: ethyl 2-[[2-methyl-4-(4-pyridin-2-ylphenyl)carbonyl-piperazin-1-yl]methylsulfamoyl]ethanoate hydrochloride Openeye Name: ethyl 2-[[2-methyl-4-[4-(2-pyridyl)benzoyl]piperazin-1-yl]methylsulfamoyl]acetate hydrochloride CAS Name: 2-[[2-methyl-4-[oxo-[4-(2-pyridinyl)phenyl]methyl]-1-piperazinyl]methylsulfamoyl]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[[2-methyl-4-(4-pyridin-2-ylbenzoyl)piperazin-1-yl]methylsulfamoyl]acetate hydrochloride Traditional Name: 2-[[2-methyl-4-[4-(2-pyridyl)benzoyl]piperazino]methylsulfamoyl]acetic acid ethyl ester hydrochloride Formula: C22H29ClN4O5S MolecularWeight: 497.00746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)NCN1CCN(CC1C)C(=O)C2=CC=C(C=C2)C3=CC=CC=N3.Cl

Isomeric SMILES

CCOC(=O)CS(=O)(=O)NCN1CCN(CC1C)C(=O)C2=CC=C(C=C2)C3=CC=CC=N3.Cl

InChI

InChI=1S/C22H28N4O5S.ClH/c1-3-31-21(27)15-32(29,30)24-16-26-13-12-25(14-17(26)2)22(28)19-9-7-18(8-10-19)20-6-4-5-11-23-20;/h4-11,17,24H,3,12-16H2,1-2H3;1H