N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-morpholinosulfonylphenyl)methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-(4-morpholinosulfonylbenzyl)-1-oxido-pyridin-1-ium-3-carboxamide Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C17H19N3O5S/c21-17(15-2-1-7-19(22)13-15)18-12-14-3-5-16(6-4-14)26(23,24)20-8-10-25-11-9-20/h1-7,13H,8-12H2,(H,18,21)