4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H24N2O5S/c1-2-12-24-31(27,28)19-9-6-17(7-10-19)23(26)25-13-3-5-20(25)18-8-11-21-22(16-18)30-15-4-14-29-21/h1,6-11,16,20,24H,3-5,12-15H2/t20-/m0/s1