(2R)-2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)propanamide

Systemtic Name: (2R)-2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-(2-morpholin-4-ium-4-ylethyl)propanamide Openeye Name: (2R)-2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)propanamide CAS Name: (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]propanamide IUPAC Name: (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)propanamide Traditional Name: (2R)-2-(N-mesyl-3,5-dimethyl-anilino)-N-(2-morpholin-4-ium-4-ylethyl)propionamide Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4S/c1-14-11-15(2)13-17(12-14)21(26(4,23)24)16(3)18(22)19-5-6-20-7-9-25-10-8-20/h11-13,16H,5-10H2,1-4H3,(H,19,22)/p+1/t16-/m1/s1