1-(4-bromophenyl)-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(4-bromophenyl)-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine Openeye Name: 1-(4-bromophenyl)-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine CAS Name: 1-(4-bromophenyl)-4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazine IUPAC Name: 1-(4-bromophenyl)-4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazine Traditional Name: 1-(4-bromophenyl)-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine Formula: C20H25BrN2O3S MolecularWeight: 453.3931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Br)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Br)C)C)OC

InChI

InChI=1S/C20H25BrN2O3S/c1-14-13-19(26-4)15(2)16(3)20(14)27(24,25)23-11-9-22(10-12-23)18-7-5-17(21)6-8-18/h5-8,13H,9-12H2,1-4H3