(3S)-1-oxidanylidene-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3S)-1-oxidanylidene-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3S)-1-oxo-N-[3-(1-piperidylsulfonyl)phenyl]isochromane-3-carboxamide CAS Name: (3S)-1-oxo-N-[3-(1-piperidinylsulfonyl)phenyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-1-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3S)-1-keto-N-(3-piperidinosulfonylphenyl)isochroman-3-carboxamide Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)[C@@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H22N2O5S/c24-20(19-13-15-7-2-3-10-18(15)21(25)28-19)22-16-8-6-9-17(14-16)29(26,27)23-11-4-1-5-12-23/h2-3,6-10,14,19H,1,4-5,11-13H2,(H,22,24)/t19-/m0/s1