4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide Formula: C26H28N3O5S+ MolecularWeight: 494.58262

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)CC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O5S/c30-26(27-22-12-13-29(18-22)17-19-4-2-1-3-5-19)20-6-8-21(9-7-20)28-35(31,32)23-10-11-24-25(16-23)34-15-14-33-24/h1-11,16,22,28H,12-15,17-18H2,(H,27,30)/p+1/t22-/m1/s1