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

Systemtic Name: 4-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-3-[(phenylmethyl)sulfamoyl]benzamide Openeye Name: 3-(benzylsulfamoyl)-4-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 4-methoxy-N-[3-(4-morpholin-4-iumyl)propyl]-3-[(phenylmethyl)sulfamoyl]benzamide IUPAC Name: 3-(benzylsulfamoyl)-4-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 3-(benzylsulfamoyl)-4-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-29-20-9-8-19(22(26)23-10-5-11-25-12-14-30-15-13-25)16-21(20)31(27,28)24-17-18-6-3-2-4-7-18/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,23,26)/p+1