1-[2,3-bis(chloranyl)phenyl]-4-(2-butoxy-5-chloranyl-4-methyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[2,3-bis(chloranyl)phenyl]-4-(2-butoxy-5-chloranyl-4-methyl-phenyl)sulfonyl-piperazine Openeye Name: 1-(2-butoxy-5-chloro-4-methyl-phenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine CAS Name: 1-(2-butoxy-5-chloro-4-methylphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine IUPAC Name: 1-(2-butoxy-5-chloro-4-methylphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine Traditional Name: 1-(2-butoxy-5-chloro-4-methyl-phenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine Formula: C21H25Cl3N2O3S MolecularWeight: 491.8588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C21H25Cl3N2O3S/c1-3-4-12-29-19-13-15(2)17(23)14-20(19)30(27,28)26-10-8-25(9-11-26)18-7-5-6-16(22)21(18)24/h5-7,13-14H,3-4,8-12H2,1-2H3