N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H29N2O5S+ MolecularWeight: 433.54106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)[NH+]4CCCC4

InChI

InChI=1S/C22H28N2O5S/c1-27-18-7-5-17(6-8-18)20(24-11-2-3-12-24)16-23-30(25,26)19-9-10-21-22(15-19)29-14-4-13-28-21/h5-10,15,20,23H,2-4,11-14,16H2,1H3/p+1/t20-/m0/s1