2-[(2,5-dimethylphenyl)-(phenylsulfonyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[(2,5-dimethylphenyl)-(phenylsulfonyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-2,5-dimethyl-anilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(N-besyl-2,5-dimethyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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