1-(4-butylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine hydrochloride

Systemtic Name: 1-(4-butylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine hydrochloride Openeye Name: 1-(4-butylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine hydrochloride CAS Name: 1-(4-butylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine hydrochloride IUPAC Name: 1-(4-butylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine hydrochloride Traditional Name: 1-(4-butylphenyl)sulfonyl-4-m-anisyl-piperazine hydrochloride Formula: C22H31ClN2O3S MolecularWeight: 439.01114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC.Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC.Cl

InChI

InChI=1S/C22H30N2O3S.ClH/c1-3-4-6-19-9-11-22(12-10-19)28(25,26)24-15-13-23(14-16-24)18-20-7-5-8-21(17-20)27-2;/h5,7-12,17H,3-4,6,13-16,18H2,1-2H3;1H