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

Systemtic Name: 2-methyl-N'-[(4S)-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]pentanediamide Openeye Name: 2-methyl-N'-[(4S)-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]pentanediamide CAS Name: 2-methyl-N'-[(4S)-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]pentanediamide IUPAC Name: 2-methyl-N'-[(4S)-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]pentanediamide Traditional Name: N'-[(4S)-3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]-2-methyl-glutaramide Formula: C17H24N4O6S MolecularWeight: 412.46066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CCC(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])C(=O)N

InChI

InChI=1S/C17H24N4O6S/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/h2-3,6,10,12-13H,4-5,7-9,11H2,1H3,(H2,18,24)(H,19,23)/t12?,13-/m0/s1