1-(2,3-dimethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(2,3-dimethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine Openeye Name: 1-(2,3-dimethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine CAS Name: 1-(2,3-dimethylphenyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(2,3-dimethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine Traditional Name: 1-(2,3-dimethylphenyl)-4-(4-pyrrolidinosulfonylphenyl)sulfonyl-piperazine Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C22H29N3O4S2/c1-18-6-5-7-22(19(18)2)23-14-16-25(17-15-23)31(28,29)21-10-8-20(9-11-21)30(26,27)24-12-3-4-13-24/h5-11H,3-4,12-17H2,1-2H3