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

Systemtic Name: 2-[(4-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-chloro-2-methyl-anilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(N-besyl-4-chloro-2-methyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O4S/c1-17-15-18(22)7-8-20(17)25(30(27,28)19-5-3-2-4-6-19)16-21(26)23-9-10-24-11-13-29-14-12-24/h2-8,15H,9-14,16H2,1H3,(H,23,26)/p+1