2-morpholin-4-ium-4-ylethyl 3-[(2-chlorophenyl)-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: 2-morpholin-4-ium-4-ylethyl 3-[(2-chlorophenyl)-(phenylmethyl)sulfamoyl]benzoate Openeye Name: 2-morpholin-4-ium-4-ylethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate CAS Name: 3-[(2-chlorophenyl)-(phenylmethyl)sulfamoyl]benzoic acid 2-(4-morpholin-4-iumyl)ethyl ester IUPAC Name: 2-morpholin-4-ium-4-ylethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate Traditional Name: 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoic acid 2-morpholin-4-ium-4-ylethyl ester Formula: C26H28ClN2O5S+ MolecularWeight: 516.02892

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1COCC[NH+]1CCOC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H27ClN2O5S/c27-24-11-4-5-12-25(24)29(20-21-7-2-1-3-8-21)35(31,32)23-10-6-9-22(19-23)26(30)34-18-15-28-13-16-33-17-14-28/h1-12,19H,13-18,20H2/p+1