N-[4-methyl-1-[[7-methyl-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-[[7-methyl-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-[[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]butyl]quinoline-2-carboxamide CAS Name: N-[4-methyl-1-[[7-methyl-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-[[7-methyl-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-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]quinaldamide Formula: C28H33N5O6S MolecularWeight: 567.65652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C(CC(C)C)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C(CC(C)C)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H33N5O6S/c1-18(2)16-24(31-27(35)23-14-12-20-8-4-5-9-21(20)29-23)28(36)30-22-13-11-19(3)33(17-25(22)34)40(38,39)26-10-6-7-15-32(26)37/h4-10,12,14-15,18-19,22,24H,11,13,16-17H2,1-3H3,(H,30,36)(H,31,35)