N-[7-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]quinolin-6-yl]methanesulfonamide

Systemtic Name: N-[7-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]quinolin-6-yl]methanesulfonamide Openeye Name: N-[7-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-3-oxo-prop-1-enyl]-6-quinolyl]methanesulfonamide CAS Name: N-[7-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-3-oxoprop-1-enyl]-6-quinolinyl]methanesulfonamide IUPAC Name: N-[7-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]quinolin-6-yl]methanesulfonamide Traditional Name: N-[7-[(E)-3-[(2R)-4-(4-fluorobenzyl)-2-methyl-piperazino]-3-keto-prop-1-enyl]-6-quinolyl]methanesulfonamide Formula: C25H27FN4O3S MolecularWeight: 482.570283

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C=CC2=C(C=C3C=CC=NC3=C2)NS(=O)(=O)C)CC4=CC=C(C=C4)F

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)/C=C/C2=C(C=C3C=CC=NC3=C2)NS(=O)(=O)C)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H27FN4O3S/c1-18-16-29(17-19-5-8-22(26)9-6-19)12-13-30(18)25(31)10-7-21-14-23-20(4-3-11-27-23)15-24(21)28-34(2,32)33/h3-11,14-15,18,28H,12-13,16-17H2,1-2H3/b10-7+/t18-/m1/s1