2-methyl-N'-[(2S,7R)-7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-2-yl]pentanediamide

Systemtic Name: 2-methyl-N'-[(2S,7R)-7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-2-yl]pentanediamide Openeye Name: 2-methyl-N'-[(2S,7R)-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-2-yl]pentanediamide CAS Name: 2-methyl-N'-[(2S,7R)-7-methyl-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-2-azepanyl]pentanediamide IUPAC Name: 2-methyl-N'-[(2S,7R)-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-2-yl]pentanediamide Traditional Name: N'-[(2S,7R)-3-keto-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-2-yl]-2-methyl-glutaramide Formula: C18H26N4O6S MolecularWeight: 426.48724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=O)C(N1S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)CCC(C)C(=O)N

Isomeric SMILES

C[C@@H]1CCCC(=O)[C@H](N1S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)CCC(C)C(=O)N

InChI

InChI=1S/C18H26N4O6S/c1-12(17(19)25)9-10-15(24)20-18-14(23)7-5-6-13(2)22(18)29(27,28)16-8-3-4-11-21(16)26/h3-4,8,11-13,18H,5-7,9-10H2,1-2H3,(H2,19,25)(H,20,24)/t12?,13-,18+/m1/s1