N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanesulfonamide

Systemtic Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanesulfonamide Openeye Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(1-oxo-2-isoquinolyl)ethanesulfonamide CAS Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(1-oxo-2-isoquinolinyl)ethanesulfonamide IUPAC Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)ethanesulfonamide Traditional Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(1-keto-2-isoquinolyl)ethanesulfonamide Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NS(=O)(=O)CCN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NS(=O)(=O)CCN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H26N2O3S/c1-14-6-5-9-18(15(14)2)20-25(23,24)13-12-21-11-10-16-7-3-4-8-17(16)19(21)22/h3-4,7-8,10-11,14-15,18,20H,5-6,9,12-13H2,1-2H3/t14-,15+,18+/m0/s1