1-(5-chloranyl-2-methyl-phenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazine CAS Name: 1-(5-chloro-2-methylphenyl)-4-[3-(1-pyrrolidinylsulfonyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(3-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=CC(=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

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

InChI

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