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

Systemtic Name: 2-(2-cyclohexylethanoylamino)-4-methyl-N-[7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]pentanamide Openeye Name: 2-[(2-cyclohexylacetyl)amino]-4-methyl-N-[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]pentanamide CAS Name: 2-[(2-cyclohexyl-1-oxoethyl)amino]-4-methyl-N-[7-methyl-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]pentanamide IUPAC Name: 2-[(2-cyclohexylacetyl)amino]-4-methyl-N-[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]pentanamide Traditional Name: 2-[(2-cyclohexylacetyl)amino]-N-[3-keto-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]-4-methyl-valeramide Formula: C26H40N4O6S MolecularWeight: 536.684

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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)CC3CCCCC3

Isomeric SMILES

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C(CC(C)C)NC(=O)CC3CCCCC3

InChI

InChI=1S/C26H40N4O6S/c1-18(2)15-22(27-24(32)16-20-9-5-4-6-10-20)26(33)28-21-13-12-19(3)30(17-23(21)31)37(35,36)25-11-7-8-14-29(25)34/h7-8,11,14,18-22H,4-6,9-10,12-13,15-17H2,1-3H3,(H,27,32)(H,28,33)