1-(4-methoxy-3-propan-2-yl-phenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(4-methoxy-3-propan-2-yl-phenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(3-isopropyl-4-methoxy-phenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(4-methoxy-3-propan-2-ylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(4-methoxy-3-propan-2-ylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(3-isopropyl-4-methoxy-phenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine Formula: C21H25F3N2O3S MolecularWeight: 442.49501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)OC

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)OC

InChI

InChI=1S/C21H25F3N2O3S/c1-15(2)19-14-18(7-8-20(19)29-3)30(27,28)26-11-9-25(10-12-26)17-6-4-5-16(13-17)21(22,23)24/h4-8,13-15H,9-12H2,1-3H3