2-[(2-methoxy-5-methyl-phenyl)-(phenylsulfonyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[(2-methoxy-5-methyl-phenyl)-(phenylsulfonyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-2-methoxy-5-methyl-anilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(N-besyl-2-methoxy-5-methyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-18-8-9-21(29-2)20(16-18)25(31(27,28)19-6-4-3-5-7-19)17-22(26)23-10-11-24-12-14-30-15-13-24/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)/p+1