3-(3-chloranyl-4-pyrrolidin-1-yl-phenyl)-4-(4-methylsulfonylphenyl)oxolan-2-one

Systemtic Name: 3-(3-chloranyl-4-pyrrolidin-1-yl-phenyl)-4-(4-methylsulfonylphenyl)oxolan-2-one Openeye Name: 3-(3-chloro-4-pyrrolidin-1-yl-phenyl)-4-(4-methylsulfonylphenyl)tetrahydrofuran-2-one CAS Name: 3-[3-chloro-4-(1-pyrrolidinyl)phenyl]-4-(4-methylsulfonylphenyl)-2-oxolanone IUPAC Name: 3-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-(4-methylsulfonylphenyl)oxolan-2-one Traditional Name: 3-(3-chloro-4-pyrrolidino-phenyl)-4-(4-mesylphenyl)tetrahydrofuran-2-one Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2COC(=O)C2C3=CC(=C(C=C3)N4CCCC4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2COC(=O)C2C3=CC(=C(C=C3)N4CCCC4)Cl

InChI

InChI=1S/C21H22ClNO4S/c1-28(25,26)16-7-4-14(5-8-16)17-13-27-21(24)20(17)15-6-9-19(18(22)12-15)23-10-2-3-11-23/h4-9,12,17,20H,2-3,10-11,13H2,1H3