(2R)-4-methyl-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazin-4-ium

Systemtic Name: (2R)-4-methyl-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazin-4-ium Openeye Name: (2R)-4-methyl-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazin-4-ium CAS Name: (2R)-4-methyl-2-phenyl-1-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylpiperazin-4-ium IUPAC Name: (2R)-4-methyl-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazin-4-ium Traditional Name: (2R)-4-methyl-2-phenyl-1-(4-pyrrolidinosulfonylphenyl)sulfonyl-piperazin-4-ium Formula: C21H28N3O4S2+ MolecularWeight: 450.59472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H27N3O4S2/c1-22-15-16-24(21(17-22)18-7-3-2-4-8-18)30(27,28)20-11-9-19(10-12-20)29(25,26)23-13-5-6-14-23/h2-4,7-12,21H,5-6,13-17H2,1H3/p+1/t21-/m0/s1