1-[(3-chlorophenyl)methyl]-4-(2,4-dimethoxyphenyl)sulfonyl-piperazine hydrochloride

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(2,4-dimethoxyphenyl)sulfonyl-piperazine hydrochloride Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(2,4-dimethoxyphenyl)sulfonyl-piperazine hydrochloride CAS Name: 1-[(3-chlorophenyl)methyl]-4-(2,4-dimethoxyphenyl)sulfonylpiperazine hydrochloride IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(2,4-dimethoxyphenyl)sulfonylpiperazine hydrochloride Traditional Name: 1-(3-chlorobenzyl)-4-(2,4-dimethoxyphenyl)sulfonyl-piperazine hydrochloride Formula: C19H24Cl2N2O4S MolecularWeight: 447.37586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)OC.Cl

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)OC.Cl

InChI

InChI=1S/C19H23ClN2O4S.ClH/c1-25-17-6-7-19(18(13-17)26-2)27(23,24)22-10-8-21(9-11-22)14-15-4-3-5-16(20)12-15;/h3-7,12-13H,8-11,14H2,1-2H3;1H