ethyl 1-[[5-[(4-chlorophenyl)sulfamoyl]-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[5-[(4-chlorophenyl)sulfamoyl]-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-[(4-chlorophenyl)sulfamoyl]-2-thioxo-1,3-benzoxazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-[(4-chlorophenyl)sulfamoyl]-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-[(4-chlorophenyl)sulfamoyl]-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-[(4-chlorophenyl)sulfamoyl]-2-thioxo-1,3-benzoxazol-3-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H25ClN3O5S2+ MolecularWeight: 511.034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl)OC2=S

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl)OC2=S

InChI

InChI=1S/C22H24ClN3O5S2/c1-2-30-21(27)15-9-11-25(12-10-15)14-26-19-13-18(7-8-20(19)31-22(26)32)33(28,29)24-17-5-3-16(23)4-6-17/h3-8,13,15,24H,2,9-12,14H2,1H3/p+1