2,6-dimethyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-morpholine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 2,6-dimethyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-morpholine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 2,6-dimethyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonylmorpholine-3-carboxylic acid Traditional Name: 2,6-dimethyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-morpholine-3-carboxylic acid Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C(O1)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)NC

Isomeric SMILES

CC1CN(C(C(O1)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC(C)NC

InChI

InChI=1S/C19H26N2O6S/c1-13(20-4)6-5-11-26-16-7-9-17(10-8-16)28(24,25)21-12-14(2)27-15(3)18(21)19(22)23/h7-10,13-15,18,20H,11-12H2,1-4H3,(H,22,23)