4-methyl-N-[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]pentanamide

Systemtic Name: 4-methyl-N-[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]pentanamide Openeye Name: 4-methyl-N-[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]pentanamide CAS Name: 4-methyl-N-[1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]pentanamide IUPAC Name: 4-methyl-N-[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]pentanamide Traditional Name: N-[3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]-4-methyl-valeramide Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C)CCC(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H25N3O5S/c1-13(2)8-9-16(22)18-14-6-5-10-19(12-15(14)21)26(24,25)17-7-3-4-11-20(17)23/h3-4,7,11,13-14H,5-6,8-10,12H2,1-2H3,(H,18,22)