1-[4-ethoxy-2-(2-methylpropyl)phenyl]-3-(phenylsulfonyl)piperazine

Systemtic Name: 1-[4-ethoxy-2-(2-methylpropyl)phenyl]-3-(phenylsulfonyl)piperazine Openeye Name: 3-(benzenesulfonyl)-1-(4-ethoxy-2-isobutyl-phenyl)piperazine CAS Name: 3-(benzenesulfonyl)-1-[4-ethoxy-2-(2-methylpropyl)phenyl]piperazine IUPAC Name: 3-(benzenesulfonyl)-1-[4-ethoxy-2-(2-methylpropyl)phenyl]piperazine Traditional Name: 3-besyl-1-(4-ethoxy-2-isobutyl-phenyl)piperazine Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3)CC(C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3)CC(C)C

InChI

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