4-[(E)-3-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[(E)-3-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[(E)-3-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-yl]-3-oxo-prop-1-enyl]-N-isopropyl-benzenesulfonamide CAS Name: 4-[(E)-3-[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-3-oxoprop-1-enyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[(E)-3-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[(E)-3-[4-(2-cyano-3-fluoro-phenyl)piperazino]-3-keto-prop-1-enyl]-N-isopropyl-benzenesulfonamide Formula: C23H25FN4O3S MolecularWeight: 456.533003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C23H25FN4O3S/c1-17(2)26-32(30,31)19-9-6-18(7-10-19)8-11-23(29)28-14-12-27(13-15-28)22-5-3-4-21(24)20(22)16-25/h3-11,17,26H,12-15H2,1-2H3/b11-8+