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

Systemtic Name: 1-(2-chloranyl-4-methyl-phenyl)sulfonyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine Openeye Name: 1-(2-chloro-4-methyl-phenyl)sulfonyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine CAS Name: 1-(2-chloro-4-methylphenyl)sulfonyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine IUPAC Name: 1-(2-chloro-4-methylphenyl)sulfonyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine Traditional Name: 1-(2-chloro-4-methyl-phenyl)sulfonyl-4-(4,5-dimethoxy-2-methyl-benzyl)piperazine Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3C)OC)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3C)OC)OC)Cl

InChI

InChI=1S/C21H27ClN2O4S/c1-15-5-6-21(18(22)11-15)29(25,26)24-9-7-23(8-10-24)14-17-13-20(28-4)19(27-3)12-16(17)2/h5-6,11-13H,7-10,14H2,1-4H3