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

Systemtic Name: (2R)-2-[(4-methoxyphenyl)-methylsulfonyl-amino]-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Openeye Name: (2R)-2-(4-methoxy-N-methylsulfonyl-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)propanamide CAS Name: (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(4-morpholin-4-iumyl)propyl]propanamide IUPAC Name: (2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Traditional Name: (2R)-2-(N-mesyl-4-methoxy-anilino)-N-(3-morpholin-4-ium-4-ylpropyl)propionamide Formula: C18H30N3O5S+ MolecularWeight: 400.5129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O5S/c1-15(18(22)19-9-4-10-20-11-13-26-14-12-20)21(27(3,23)24)16-5-7-17(25-2)8-6-16/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)/p+1/t15-/m1/s1