1-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylphenyl)sulfonyl-piperazine hydrochloride

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylphenyl)sulfonyl-piperazine hydrochloride Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylphenyl)sulfonyl-piperazine hydrochloride CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylphenyl)sulfonylpiperazine hydrochloride IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylphenyl)sulfonylpiperazine hydrochloride Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperonyl-piperazine hydrochloride Formula: C22H29ClN2O4S MolecularWeight: 452.99466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.Cl

InChI

InChI=1S/C22H28N2O4S.ClH/c1-22(2,3)18-5-7-19(8-6-18)29(25,26)24-12-10-23(11-13-24)15-17-4-9-20-21(14-17)28-16-27-20;/h4-9,14H,10-13,15-16H2,1-3H3;1H