1-[(2-methylphenyl)methyl]-4-(4-propylphenyl)sulfonyl-piperazine hydrochloride

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-(4-propylphenyl)sulfonyl-piperazine hydrochloride Openeye Name: 1-(o-tolylmethyl)-4-(4-propylphenyl)sulfonyl-piperazine hydrochloride CAS Name: 1-[(2-methylphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine hydrochloride IUPAC Name: 1-[(2-methylphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine hydrochloride Traditional Name: 1-(2-methylbenzyl)-4-(4-propylphenyl)sulfonyl-piperazine hydrochloride Formula: C21H29ClN2O2S MolecularWeight: 408.98516

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3C.Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3C.Cl

InChI

InChI=1S/C21H28N2O2S.ClH/c1-3-6-19-9-11-21(12-10-19)26(24,25)23-15-13-22(14-16-23)17-20-8-5-4-7-18(20)2;/h4-5,7-12H,3,6,13-17H2,1-2H3;1H