(3S)-3-methyl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-3-methyl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-3-methyl-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-3-methyl-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-3-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-1-keto-3-methyl-N-(2-methyl-5-piperidinosulfonyl-phenyl)isochroman-3-carboxamide Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-16-10-11-18(31(28,29)25-12-6-3-7-13-25)14-20(16)24-22(27)23(2)15-17-8-4-5-9-19(17)21(26)30-23/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,24,27)/t23-/m0/s1