1-(4-tert-butylphenyl)sulfonyl-4-(phenylmethyl)piperazine hydrochloride

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-(phenylmethyl)piperazine hydrochloride Openeye Name: 1-benzyl-4-(4-tert-butylphenyl)sulfonyl-piperazine hydrochloride CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-(phenylmethyl)piperazine hydrochloride IUPAC Name: 1-benzyl-4-(4-tert-butylphenyl)sulfonylpiperazine hydrochloride Traditional Name: 1-benzyl-4-(4-tert-butylphenyl)sulfonyl-piperazine hydrochloride Formula: C21H29ClN2O2S MolecularWeight: 408.98516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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