1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(coumaran-5-ylmethyl)-4-(4-pyrrolidinosulfonylphenyl)sulfonyl-piperazin-1-ium Formula: C23H30N3O5S2+ MolecularWeight: 492.6314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C23H29N3O5S2/c27-32(28,25-10-1-2-11-25)21-4-6-22(7-5-21)33(29,30)26-14-12-24(13-15-26)18-19-3-8-23-20(17-19)9-16-31-23/h3-8,17H,1-2,9-16,18H2/p+1