(2R)-2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)propanamide

Systemtic Name: (2R)-2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Openeye Name: (2R)-2-(4-chloro-N-methylsulfonyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)propanamide CAS Name: (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-morpholin-4-iumyl)propyl]propanamide IUPAC Name: (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Traditional Name: (2R)-2-(4-chloro-N-mesyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)propionamide Formula: C17H27ClN3O4S+ MolecularWeight: 404.93198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC[NH+]1CCOCC1)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NCCC[NH+]1CCOCC1)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H26ClN3O4S/c1-14(17(22)19-8-3-9-20-10-12-25-13-11-20)21(26(2,23)24)16-6-4-15(18)5-7-16/h4-7,14H,3,8-13H2,1-2H3,(H,19,22)/p+1/t14-/m1/s1