1-(5-chloranyl-2-methyl-phenyl)-4-(4-ethoxy-2,5-dimethyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(4-ethoxy-2,5-dimethyl-phenyl)sulfonyl-piperazine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(4-ethoxy-2,5-dimethyl-phenyl)sulfonyl-piperazine CAS Name: 1-(5-chloro-2-methylphenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(4-ethoxy-2,5-dimethyl-phenyl)sulfonyl-piperazine Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)C

InChI

InChI=1S/C21H27ClN2O3S/c1-5-27-20-12-17(4)21(13-16(20)3)28(25,26)24-10-8-23(9-11-24)19-14-18(22)7-6-15(19)2/h6-7,12-14H,5,8-11H2,1-4H3