(2S)-3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)butanamide

Systemtic Name: (2S)-3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)butanamide Openeye Name: (2S)-3-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(2-naphthylsulfonylamino)butanamide CAS Name: (2S)-3-methyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-(2-naphthalenylsulfonylamino)butanamide IUPAC Name: (2S)-3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)butanamide Traditional Name: (2S)-3-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(2-naphthylsulfonylamino)butyramide Formula: C25H31N4O4S+ MolecularWeight: 483.60304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C[NH+]=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=C[NH+]=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H30N4O4S/c1-18(2)24(28-34(31,32)22-9-8-20-5-3-4-6-21(20)15-22)25(30)27-17-19-7-10-23(26-16-19)29-11-13-33-14-12-29/h3-10,15-16,18,24,28H,11-14,17H2,1-2H3,(H,27,30)/p+1/t24-/m0/s1