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

Systemtic Name: 5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-2-methoxy-N-methyl-benzenesulfonamide Openeye Name: 5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-methoxy-N-methyl-benzenesulfonamide CAS Name: 5-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-2-methoxy-N-methylbenzenesulfonamide IUPAC Name: 5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide Traditional Name: 5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-methoxy-N-methyl-benzenesulfonamide Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-23-31(26,27)21-14-16(7-9-19(21)28-2)22(25)24-10-3-5-17(24)15-6-8-18-20(13-15)30-12-4-11-29-18/h6-9,13-14,17,23H,3-5,10-12H2,1-2H3/t17-/m0/s1