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

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-chloro-2-methyl-anilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(N-besyl-3-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=C1Cl)N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=CC=C3

InChI

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