2-methyl-N'-[(3S)-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanyl-azepan-4-yl]pentanediamide

Systemtic Name: 2-methyl-N'-[(3S)-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanyl-azepan-4-yl]pentanediamide Openeye Name: N'-[(3S)-3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]-2-methyl-pentanediamide CAS Name: N'-[(3S)-3-hydroxy-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-4-azepanyl]-2-methylpentanediamide IUPAC Name: N'-[(3S)-3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonylazepan-4-yl]-2-methylpentanediamide Traditional Name: N'-[(3S)-3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]-2-methyl-glutaramide Formula: C17H26N4O6S MolecularWeight: 414.47654

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC1CCCN(CC1O)S(=O)(=O)C2=CC=CC=[N+]2[O-])C(=O)N

Isomeric SMILES

CC(CCC(=O)NC1CCCN(C[C@@H]1O)S(=O)(=O)C2=CC=CC=[N+]2[O-])C(=O)N

InChI

InChI=1S/C17H26N4O6S/c1-12(17(18)24)7-8-15(23)19-13-5-4-9-20(11-14(13)22)28(26,27)16-6-2-3-10-21(16)25/h2-3,6,10,12-14,22H,4-5,7-9,11H2,1H3,(H2,18,24)(H,19,23)/t12?,13?,14-/m0/s1