1-(aminomethyl)-3-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromene-5,6-diol

Systemtic Name: 1-(aminomethyl)-3-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromene-5,6-diol Openeye Name: 1-(aminomethyl)-3-(1-methylsulfonyl-4-piperidyl)isochromane-5,6-diol CAS Name: 1-(aminomethyl)-3-(1-methylsulfonyl-4-piperidinyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol IUPAC Name: 1-(aminomethyl)-3-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromene-5,6-diol Traditional Name: 1-(aminomethyl)-3-(1-mesyl-4-piperidyl)isochroman-5,6-diol Formula: C16H24N2O5S MolecularWeight: 356.43716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C2CC3=C(C=CC(=C3O)O)C(O2)CN

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C2CC3=C(C=CC(=C3O)O)C(O2)CN

InChI

InChI=1S/C16H24N2O5S/c1-24(21,22)18-6-4-10(5-7-18)14-8-12-11(15(9-17)23-14)2-3-13(19)16(12)20/h2-3,10,14-15,19-20H,4-9,17H2,1H3