4-methyl-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine hydrochloride

Systemtic Name: 4-methyl-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine hydrochloride Openeye Name: 4-methyl-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine hydrochloride CAS Name: 4-methyl-2-phenyl-1-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylpiperazine hydrochloride IUPAC Name: 4-methyl-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine hydrochloride Traditional Name: 4-methyl-2-phenyl-1-(4-pyrrolidinosulfonylphenyl)sulfonyl-piperazine hydrochloride Formula: C21H28ClN3O4S2 MolecularWeight: 486.04772

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4.Cl

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4.Cl

InChI

InChI=1S/C21H27N3O4S2.ClH/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;1H