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

Systemtic Name: 2,2-dimethyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-[4-(methylamino)pent-2-ynoxy]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C19H26N2O5S2 MolecularWeight: 426.55014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)O)(C)C)NC

Isomeric SMILES

CC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)O)(C)C)NC

InChI

InChI=1S/C19H26N2O5S2/c1-14(20-4)6-5-12-26-15-7-9-16(10-8-15)28(24,25)21-11-13-27-19(2,3)17(21)18(22)23/h7-10,14,17,20H,11-13H2,1-4H3,(H,22,23)