2-[methyl-(4-methylphenyl)sulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 2-[methyl-(4-methylphenyl)sulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 2-[methyl(p-tolylsulfonyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 2-[methyl(tosyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3O4S/c1-18-8-10-19(11-9-18)30(27,28)24(2)21-7-4-3-6-20(21)22(26)23-12-5-13-25-14-16-29-17-15-25/h3-4,6-11H,5,12-17H2,1-2H3,(H,23,26)/p+1