3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H22N2O5S/c1-2-10-23-30(26,27)18-6-3-5-17(14-18)22(25)24-11-4-7-19(24)16-8-9-20-21(15-16)29-13-12-28-20/h1,3,5-6,8-9,14-15,19,23H,4,7,10-13H2/t19-/m0/s1