1-(5-chloranyl-2-methyl-phenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine CAS Name: 1-(5-chloro-2-methylphenyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(4-pyrrolidinosulfonylphenyl)sulfonyl-piperazine Formula: C21H26ClN3O4S2 MolecularWeight: 484.03184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O4S2/c1-17-4-5-18(22)16-21(17)23-12-14-25(15-13-23)31(28,29)20-8-6-19(7-9-20)30(26,27)24-10-2-3-11-24/h4-9,16H,2-3,10-15H2,1H3