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

Systemtic Name: 5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-N,2,3-trimethyl-benzenesulfonamide Openeye Name: 5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N,2,3-trimethyl-benzenesulfonamide CAS Name: 5-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-N,2,3-trimethylbenzenesulfonamide IUPAC Name: 5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N,2,3-trimethylbenzenesulfonamide Traditional Name: 5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-N,2,3-trimethyl-benzenesulfonamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)S(=O)(=O)NC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4)S(=O)(=O)NC)C

InChI

InChI=1S/C23H28N2O5S/c1-15-12-18(14-22(16(15)2)31(27,28)24-3)23(26)25-9-4-6-19(25)17-7-8-20-21(13-17)30-11-5-10-29-20/h7-8,12-14,19,24H,4-6,9-11H2,1-3H3/t19-/m0/s1