4-azanyl-2,2-dimethyl-3-oxidanyl-8-[(5-oxidanylidenepyrrolidin-2-yl)methyl]-3,4-dihydrochromene-6-sulfinate

Systemtic Name: 4-azanyl-2,2-dimethyl-3-oxidanyl-8-[(5-oxidanylidenepyrrolidin-2-yl)methyl]-3,4-dihydrochromene-6-sulfinate Openeye Name: 4-amino-3-hydroxy-2,2-dimethyl-8-[(5-oxopyrrolidin-2-yl)methyl]chromane-6-sulfinate CAS Name: 4-amino-3-hydroxy-2,2-dimethyl-8-[(5-oxo-2-pyrrolidinyl)methyl]-3,4-dihydro-2H-1-benzopyran-6-sulfinate IUPAC Name: 4-amino-3-hydroxy-2,2-dimethyl-8-[(5-oxopyrrolidin-2-yl)methyl]-3,4-dihydrochromene-6-sulfinate Traditional Name: 4-amino-3-hydroxy-8-[(5-ketopyrrolidin-2-yl)methyl]-2,2-dimethyl-chroman-6-sulfinate Formula: C16H21N2O5S- MolecularWeight: 353.41334

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC(=CC(=C2O1)CC3CCC(=O)N3)S(=O)[O-])N)O)C

Isomeric SMILES

CC1(C(C(C2=CC(=CC(=C2O1)CC3CCC(=O)N3)S(=O)[O-])N)O)C

InChI

InChI=1S/C16H22N2O5S/c1-16(2)15(20)13(17)11-7-10(24(21)22)6-8(14(11)23-16)5-9-3-4-12(19)18-9/h6-7,9,13,15,20H,3-5,17H2,1-2H3,(H,18,19)(H,21,22)/p-1