[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5S/c21-17-7-3-5-15(11-17)13-22-19(24)14-28-20(25)16-6-4-8-18(12-16)29(26,27)23-9-1-2-10-23/h3-8,11-12H,1-2,9-10,13-14H2,(H,22,24)