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

Systemtic Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-[(2,4-dichlorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H20Cl2N2O5S MolecularWeight: 471.3542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H20Cl2N2O5S/c21-16-7-6-15(18(22)11-16)12-23-19(25)13-29-20(26)14-4-3-5-17(10-14)30(27,28)24-8-1-2-9-24/h3-7,10-11H,1-2,8-9,12-13H2,(H,23,25)