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

Systemtic Name: 4-[4-(4-azanylpent-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(4-aminopent-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(4-aminopent-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(4-aminopent-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-aminopent-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5S2/c1-13(19)5-4-11-25-14-6-8-15(9-7-14)27(23,24)20-10-12-26-18(2,3)16(20)17(21)22/h6-9,13,16H,10-12,19H2,1-3H3,(H,21,22)