3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-(p-phenetylsulfonylamino)benzamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3O5S/c1-2-30-20-7-9-21(10-8-20)31(27,28)24-19-6-3-5-18(17-19)22(26)23-11-4-12-25-13-15-29-16-14-25/h3,5-10,17,24H,2,4,11-16H2,1H3,(H,23,26)/p+1