3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C)OC

InChI

InChI=1S/C22H24N2O5S/c1-4-12-23-30(26,27)18-8-5-7-16(14-18)22(25)24-13-6-9-20(24)19-11-10-17(28-2)15-21(19)29-3/h1,5,7-8,10-11,14-15,20,23H,6,9,12-13H2,2-3H3