[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H36N2O6S/c1-17-9-8-10-20(18(17)2)25-23(27)16-32-24(28)19-11-12-21(31-3)22(15-19)33(29,30)26-13-6-4-5-7-14-26/h11-12,15,17-18,20H,4-10,13-14,16H2,1-3H3,(H,25,27)