N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-1-keto-isochroman-3-carboxamide Formula: C23H27N3O5S MolecularWeight: 457.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C23H27N3O5S/c1-25(2)20-11-10-17(32(29,30)26-12-6-3-7-13-26)15-19(20)24-22(27)21-14-16-8-4-5-9-18(16)23(28)31-21/h4-5,8-11,15,21H,3,6-7,12-14H2,1-2H3,(H,24,27)