[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-[1-(2,4-dichlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H22Cl2N2O5S MolecularWeight: 485.38078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H22Cl2N2O5S/c1-14(18-8-7-16(22)12-19(18)23)24-20(26)13-30-21(27)15-5-4-6-17(11-15)31(28,29)25-9-2-3-10-25/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H,24,26)