[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C24H36N2O6S MolecularWeight: 480.61744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCCCCC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCCCCC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H36N2O6S/c1-31-21-14-13-19(17-22(21)33(29,30)26-15-9-5-6-10-16-26)24(28)32-18-23(27)25-20-11-7-3-2-4-8-12-20/h13-14,17,20H,2-12,15-16,18H2,1H3,(H,25,27)