2-(4-cyclohexylbutanoylamino)-4-methyl-N-[7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]pentanamide

Systemtic Name: 2-(4-cyclohexylbutanoylamino)-4-methyl-N-[7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]pentanamide Openeye Name: 2-(4-cyclohexylbutanoylamino)-4-methyl-N-[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]pentanamide CAS Name: 2-[(4-cyclohexyl-1-oxobutyl)amino]-4-methyl-N-[7-methyl-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]pentanamide IUPAC Name: 2-(4-cyclohexylbutanoylamino)-4-methyl-N-[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]pentanamide Traditional Name: 2-(4-cyclohexylbutanoylamino)-N-[3-keto-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]-4-methyl-valeramide Formula: C28H44N4O6S MolecularWeight: 564.73716

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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)CCCC3CCCCC3

Isomeric SMILES

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C(CC(C)C)NC(=O)CCCC3CCCCC3

InChI

InChI=1S/C28H44N4O6S/c1-20(2)18-24(29-26(34)13-9-12-22-10-5-4-6-11-22)28(35)30-23-16-15-21(3)32(19-25(23)33)39(37,38)27-14-7-8-17-31(27)36/h7-8,14,17,20-24H,4-6,9-13,15-16,18-19H2,1-3H3,(H,29,34)(H,30,35)