(3R)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-1-keto-N-(2-methyl-5-piperidinosulfonyl-phenyl)isochroman-3-carboxamide Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)[C@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H24N2O5S/c1-15-9-10-17(30(27,28)24-11-5-2-6-12-24)14-19(15)23-21(25)20-13-16-7-3-4-8-18(16)22(26)29-20/h3-4,7-10,14,20H,2,5-6,11-13H2,1H3,(H,23,25)/t20-/m1/s1