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

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(N-mesyl-3,4-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=C(C=C1)N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4S/c1-15-5-6-17(13-16(15)2)21(26(3,23)24)14-18(22)19-7-4-8-20-9-11-25-12-10-20/h5-6,13H,4,7-12,14H2,1-3H3,(H,19,22)/p+1