2-[(2-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[(2-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[2-methoxy-N-(p-tolylsulfonyl)anilino]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(2-methoxy-N-tosyl-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)S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)C3=CC=CC=C3OC

InChI

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