[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H25ClN2O5S/c1-13(2)20-17(22)12-26-18(23)14-7-8-15(19)16(11-14)27(24,25)21-9-5-3-4-6-10-21/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,20,22)