1-[(3-methoxyphenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine hydrochloride

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine hydrochloride Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine hydrochloride CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazine hydrochloride IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazine hydrochloride Traditional Name: 1-m-anisyl-4-mesitylsulfonyl-piperazine hydrochloride Formula: C21H29ClN2O3S MolecularWeight: 424.98456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC)C.Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC)C.Cl

InChI

InChI=1S/C21H28N2O3S.ClH/c1-16-12-17(2)21(18(3)13-16)27(24,25)23-10-8-22(9-11-23)15-19-6-5-7-20(14-19)26-4;/h5-7,12-14H,8-11,15H2,1-4H3;1H