4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-3-[(phenylmethyl)sulfamoyl]benzamide

Systemtic Name: 4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-3-[(phenylmethyl)sulfamoyl]benzamide Openeye Name: 3-(benzylsulfamoyl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 4-methoxy-N-[2-(4-morpholin-4-iumyl)ethyl]-3-[(phenylmethyl)sulfamoyl]benzamide IUPAC Name: 3-(benzylsulfamoyl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 3-(benzylsulfamoyl)-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H28N3O5S+ MolecularWeight: 434.52912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC[NH+]2CCOCC2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC[NH+]2CCOCC2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O5S/c1-28-19-8-7-18(21(25)22-9-10-24-11-13-29-14-12-24)15-20(19)30(26,27)23-16-17-5-3-2-4-6-17/h2-8,15,23H,9-14,16H2,1H3,(H,22,25)/p+1