N-[4-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[4-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]quinoline-2-carboxamide Openeye Name: N-[3-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]butyl]quinoline-2-carboxamide CAS Name: N-[4-methyl-1-[[1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]amino]-1-oxopentan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[4-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxopentan-2-yl]quinoline-2-carboxamide Traditional Name: N-[1-[[3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]quinaldamide Formula: C27H31N5O6S MolecularWeight: 553.62994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31N5O6S/c1-18(2)16-23(30-26(34)22-13-12-19-8-3-4-9-20(19)28-22)27(35)29-21-10-7-14-31(17-24(21)33)39(37,38)25-11-5-6-15-32(25)36/h3-6,8-9,11-13,15,18,21,23H,7,10,14,16-17H2,1-2H3,(H,29,35)(H,30,34)