2-[(3-chloranyl-4-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[3-chloro-4-methyl-N-(p-tolylsulfonyl)anilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(3-chloro-4-methyl-N-tosyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C22H29ClN3O4S+ MolecularWeight: 467.00136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C22H28ClN3O4S/c1-17-3-7-20(8-4-17)31(28,29)26(19-6-5-18(2)21(23)15-19)16-22(27)24-9-10-25-11-13-30-14-12-25/h3-8,15H,9-14,16H2,1-2H3,(H,24,27)/p+1