N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-6-fluoranyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide

Systemtic Name: N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-6-fluoranyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide Openeye Name: N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-6-fluoro-8-(4-methylpiperazin-1-yl)chromane-2-carboxamide CAS Name: N-[4-(4-ethylsulfonyl-1-piperazinyl)phenyl]-6-fluoro-8-(4-methyl-1-piperazinyl)-3,4-dihydro-2H-1-benzopyran-2-carboxamide IUPAC Name: N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxamide Traditional Name: N-[4-(4-esylpiperazino)phenyl]-6-fluoro-8-(4-methylpiperazino)chroman-2-carboxamide Formula: C27H36FN5O4S MolecularWeight: 545.669243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCC4=CC(=CC(=C4O3)N5CCN(CC5)C)F

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCC4=CC(=CC(=C4O3)N5CCN(CC5)C)F

InChI

InChI=1S/C27H36FN5O4S/c1-3-38(35,36)33-16-14-31(15-17-33)23-7-5-22(6-8-23)29-27(34)25-9-4-20-18-21(28)19-24(26(20)37-25)32-12-10-30(2)11-13-32/h5-8,18-19,25H,3-4,9-17H2,1-2H3,(H,29,34)