1-(4-methoxyphenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(4-methoxyphenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine Openeye Name: 1-(4-methoxyphenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine CAS Name: 1-(4-methoxyphenyl)-4-[3-(1-pyrrolidinylsulfonyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(4-methoxyphenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine Traditional Name: 1-(4-methoxyphenyl)-4-(3-pyrrolidinosulfonylphenyl)sulfonyl-piperazine Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H27N3O5S2/c1-29-19-9-7-18(8-10-19)22-13-15-24(16-14-22)31(27,28)21-6-4-5-20(17-21)30(25,26)23-11-2-3-12-23/h4-10,17H,2-3,11-16H2,1H3