[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H36N2O6S/c1-18(23(27)25-17-19-10-6-5-7-11-19)32-24(28)20-12-13-21(31-2)22(16-20)33(29,30)26-14-8-3-4-9-15-26/h12-13,16,18-19H,3-11,14-15,17H2,1-2H3,(H,25,27)