methyl 4-chloranyl-5-(2-phenyl-2-pyrrolidin-1-yl-ethyl)sulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 4-chloranyl-5-(2-phenyl-2-pyrrolidin-1-yl-ethyl)sulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: methyl 4-chloro-5-(2-phenyl-2-pyrrolidin-1-yl-ethyl)sulfonyl-2-pyrrolidin-1-yl-benzoate CAS Name: 4-chloro-5-[2-phenyl-2-(1-pyrrolidinyl)ethyl]sulfonyl-2-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-chloro-5-(2-phenyl-2-pyrrolidin-1-ylethyl)sulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 4-chloro-5-(2-phenyl-2-pyrrolidino-ethyl)sulfonyl-2-pyrrolidino-benzoic acid methyl ester Formula: C24H29ClN2O4S MolecularWeight: 477.01606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1N2CCCC2)Cl)S(=O)(=O)CC(C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1N2CCCC2)Cl)S(=O)(=O)CC(C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C24H29ClN2O4S/c1-31-24(28)19-15-23(20(25)16-21(19)26-11-5-6-12-26)32(29,30)17-22(27-13-7-8-14-27)18-9-3-2-4-10-18/h2-4,9-10,15-16,22H,5-8,11-14,17H2,1H3