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]cyclohexanecarboxamide

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]cyclohexanecarboxamide Openeye Name: N-[3-methyl-1-[[7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]butyl]cyclohexanecarboxamide 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]cyclohexanecarboxamide 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]cyclohexanecarboxamide Traditional Name: N-[1-[[3-keto-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]cyclohexanecarboxamide Formula: C25H38N4O6S MolecularWeight: 522.65742

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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)C3CCCCC3

Isomeric SMILES

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C(CC(C)C)NC(=O)C3CCCCC3

InChI

InChI=1S/C25H38N4O6S/c1-17(2)15-21(27-24(31)19-9-5-4-6-10-19)25(32)26-20-13-12-18(3)29(16-22(20)30)36(34,35)23-11-7-8-14-28(23)33/h7-8,11,14,17-21H,4-6,9-10,12-13,15-16H2,1-3H3,(H,26,32)(H,27,31)