1-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine Openeye Name: 1-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine CAS Name: 1-(2-methoxyphenyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine Traditional Name: 1-(2-methoxyphenyl)-4-(4-pyrrolidinosulfonylphenyl)sulfonyl-piperazine Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H27N3O5S2/c1-29-21-7-3-2-6-20(21)22-14-16-24(17-15-22)31(27,28)19-10-8-18(9-11-19)30(25,26)23-12-4-5-13-23/h2-3,6-11H,4-5,12-17H2,1H3