1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(2-chloranyl-6-methyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(2-chloranyl-6-methyl-phenyl)sulfonyl-piperazine Openeye Name: 1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-4-(2-chloro-6-methyl-phenyl)sulfonyl-piperazine CAS Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(2-chloro-6-methylphenyl)sulfonylpiperazine IUPAC Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(2-chloro-6-methylphenyl)sulfonylpiperazine Traditional Name: 1-(5-bromo-2,4-dimethoxy-benzyl)-4-(2-chloro-6-methyl-phenyl)sulfonyl-piperazine Formula: C20H24BrClN2O4S MolecularWeight: 503.83756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3OC)OC)Br

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3OC)OC)Br

InChI

InChI=1S/C20H24BrClN2O4S/c1-14-5-4-6-17(22)20(14)29(25,26)24-9-7-23(8-10-24)13-15-11-16(21)19(28-3)12-18(15)27-2/h4-6,11-12H,7-10,13H2,1-3H3