4-(4-butylphenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine

Systemtic Name: 4-(4-butylphenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine Openeye Name: 4-(4-butylphenyl)sulfonyl-2-methyl-1-(m-tolyl)piperazine CAS Name: 4-(4-butylphenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine IUPAC Name: 4-(4-butylphenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine Traditional Name: 4-(4-butylphenyl)sulfonyl-2-methyl-1-(m-tolyl)piperazine Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2)C)C3=CC=CC(=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2)C)C3=CC=CC(=C3)C

InChI

InChI=1S/C22H30N2O2S/c1-4-5-8-20-10-12-22(13-11-20)27(25,26)23-14-15-24(19(3)17-23)21-9-6-7-18(2)16-21/h6-7,9-13,16,19H,4-5,8,14-15,17H2,1-3H3