2-[(2,3-dimethylphenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[(2,3-dimethylphenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(2,3-dimethyl-N-methylsulfonyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(N-mesyl-2,3-dimethyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4S/c1-15-6-4-7-17(16(15)2)21(26(3,23)24)14-18(22)19-8-5-9-20-10-12-25-13-11-20/h4,6-7H,5,8-14H2,1-3H3,(H,19,22)/p+1