3-(phenylmethyl)-1-(4-propan-2-ylsulfonyl-2-propyl-phenyl)piperazine

Systemtic Name: 3-(phenylmethyl)-1-(4-propan-2-ylsulfonyl-2-propyl-phenyl)piperazine Openeye Name: 3-benzyl-1-(4-isopropylsulfonyl-2-propyl-phenyl)piperazine CAS Name: 3-(phenylmethyl)-1-(4-propan-2-ylsulfonyl-2-propylphenyl)piperazine IUPAC Name: 3-benzyl-1-(4-propan-2-ylsulfonyl-2-propylphenyl)piperazine Traditional Name: 3-benzyl-1-(4-isopropylsulfonyl-2-propyl-phenyl)piperazine Formula: C23H32N2O2S MolecularWeight: 400.57738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H32N2O2S/c1-4-8-20-16-22(28(26,27)18(2)3)11-12-23(20)25-14-13-24-21(17-25)15-19-9-6-5-7-10-19/h5-7,9-12,16,18,21,24H,4,8,13-15,17H2,1-3H3