1-(3-chloranyl-4-methyl-phenyl)-4-(2,5-diethoxyphenyl)sulfonyl-piperazine

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-4-(2,5-diethoxyphenyl)sulfonyl-piperazine Openeye Name: 1-(3-chloro-4-methyl-phenyl)-4-(2,5-diethoxyphenyl)sulfonyl-piperazine CAS Name: 1-(3-chloro-4-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(3-chloro-4-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine Traditional Name: 1-(3-chloro-4-methyl-phenyl)-4-(2,5-diethoxyphenyl)sulfonyl-piperazine Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O4S/c1-4-27-18-8-9-20(28-5-2)21(15-18)29(25,26)24-12-10-23(11-13-24)17-7-6-16(3)19(22)14-17/h6-9,14-15H,4-5,10-13H2,1-3H3