2-[(4-methoxy-3-methyl-phenyl)sulfonyl-methyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[(4-methoxy-3-methyl-phenyl)sulfonyl-methyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-[(4-methoxy-3-methyl-phenyl)sulfonyl-methyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-[(4-methoxy-3-methyl-phenyl)sulfonyl-methyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C18H30N3O5S+ MolecularWeight: 400.5129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)NCCC[NH+]2CCOCC2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)NCCC[NH+]2CCOCC2)OC

InChI

InChI=1S/C18H29N3O5S/c1-15-13-16(5-6-17(15)25-3)27(23,24)20(2)14-18(22)19-7-4-8-21-9-11-26-12-10-21/h5-6,13H,4,7-12,14H2,1-3H3,(H,19,22)/p+1