1-(4-butan-2-ylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine hydrochloride

Systemtic Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine hydrochloride Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(4-sec-butylphenyl)sulfonyl-piperazine hydrochloride CAS Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine hydrochloride IUPAC Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine hydrochloride Traditional Name: 1-m-anisyl-4-(4-sec-butylphenyl)sulfonyl-piperazine hydrochloride Formula: C22H31ClN2O3S MolecularWeight: 439.01114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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