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

Systemtic Name: 1-(2-ethyl-4-propan-2-ylsulfonyl-phenyl)-3-(phenylmethyl)piperazine Openeye Name: 3-benzyl-1-(2-ethyl-4-isopropylsulfonyl-phenyl)piperazine CAS Name: 1-(2-ethyl-4-propan-2-ylsulfonylphenyl)-3-(phenylmethyl)piperazine IUPAC Name: 3-benzyl-1-(2-ethyl-4-propan-2-ylsulfonylphenyl)piperazine Traditional Name: 3-benzyl-1-(2-ethyl-4-isopropylsulfonyl-phenyl)piperazine Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O2S/c1-4-19-15-21(27(25,26)17(2)3)10-11-22(19)24-13-12-23-20(16-24)14-18-8-6-5-7-9-18/h5-11,15,17,20,23H,4,12-14,16H2,1-3H3