(3R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-(3,5-dimethylisoxazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(3,5-dimethylisoxazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C15H15N2O5S- MolecularWeight: 335.355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)[O-]

InChI

InChI=1S/C15H16N2O5S/c1-9-14(10(2)22-16-9)23(20,21)17-8-12-6-4-3-5-11(12)7-13(17)15(18)19/h3-6,13H,7-8H2,1-2H3,(H,18,19)/p-1/t13-/m1/s1