phenyl 4-(4-fluoranyl-2-propan-2-ylsulfonyl-phenyl)piperazine-2-sulfonate

Systemtic Name: phenyl 4-(4-fluoranyl-2-propan-2-ylsulfonyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-fluoro-2-isopropylsulfonyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(4-fluoro-2-propan-2-ylsulfonylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-fluoro-2-propan-2-ylsulfonylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-fluoro-2-isopropylsulfonyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C19H23FN2O5S2 MolecularWeight: 442.524723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1)F)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1)F)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H23FN2O5S2/c1-14(2)28(23,24)18-12-15(20)8-9-17(18)22-11-10-21-19(13-22)29(25,26)27-16-6-4-3-5-7-16/h3-9,12,14,19,21H,10-11,13H2,1-2H3