2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C24H30N3O5S+ MolecularWeight: 472.5771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCCC3C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCC[C@H]3C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H29N3O5S/c28-24(25-19-5-3-6-20(16-19)33(29,30)27-11-1-2-12-27)17-26-10-4-7-21(26)18-8-9-22-23(15-18)32-14-13-31-22/h3,5-6,8-9,15-16,21H,1-2,4,7,10-14,17H2,(H,25,28)/p+1/t21-/m0/s1