(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO5S/c22-18-7-9-19(10-8-18)29(26,27)14-11-20(24)28-15-16-3-5-17(6-4-16)21(25)23-12-1-2-13-23/h3-10H,1-2,11-15H2