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

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H30N2O6S/c1-14(2)21-19(23)15(3)28-20(24)16-9-10-17(27-4)18(13-16)29(25,26)22-11-7-5-6-8-12-22/h9-10,13-15H,5-8,11-12H2,1-4H3,(H,21,23)