(3R)-3-methyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3R)-3-methyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3R)-3-methyl-N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-3-methyl-N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-3-methyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3R)-1-keto-3-methyl-N-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]isochroman-3-carboxamide Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@]3(CC4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C23H26N2O5S/c1-16-6-5-13-25(15-16)31(28,29)19-11-9-18(10-12-19)24-22(27)23(2)14-17-7-3-4-8-20(17)21(26)30-23/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,24,27)/t16-,23+/m0/s1