[3-methyl-5-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanyl-azepan-4-yl]amino]-5-oxidanylidene-pentyl]carbamic acid

Systemtic Name: [3-methyl-5-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanyl-azepan-4-yl]amino]-5-oxidanylidene-pentyl]carbamic acid Openeye Name: [5-[[3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]amino]-3-methyl-5-oxo-pentyl]carbamic acid CAS Name: [5-[[3-hydroxy-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-4-azepanyl]amino]-3-methyl-5-oxopentyl]carbamic acid IUPAC Name: [5-[[3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonylazepan-4-yl]amino]-3-methyl-5-oxopentyl]carbamic acid Traditional Name: [5-[[3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]amino]-5-keto-3-methyl-pentyl]carbamic acid Formula: C18H28N4O7S MolecularWeight: 444.50252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O7S/c1-13(7-8-19-18(25)26)11-16(24)20-14-5-4-9-21(12-15(14)23)30(28,29)17-6-2-3-10-22(17)27/h2-3,6,10,13-15,19,23H,4-5,7-9,11-12H2,1H3,(H,20,24)(H,25,26)