N,2,2-trimethyl-4-[4-(5-oxidanylpent-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxamide

Systemtic Name: N,2,2-trimethyl-4-[4-(5-oxidanylpent-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxamide Openeye Name: 4-[4-(5-hydroxypent-2-ynoxy)phenyl]sulfonyl-N,2,2-trimethyl-thiomorpholine-3-carboxamide CAS Name: 4-[4-(5-hydroxypent-2-ynoxy)phenyl]sulfonyl-N,2,2-trimethyl-3-thiomorpholinecarboxamide IUPAC Name: 4-[4-(5-hydroxypent-2-ynoxy)phenyl]sulfonyl-N,2,2-trimethylthiomorpholine-3-carboxamide Traditional Name: 4-[4-(5-hydroxypent-2-ynoxy)phenyl]sulfonyl-N,2,2-trimethyl-thiomorpholine-3-carboxamide Formula: C19H26N2O5S2 MolecularWeight: 426.55014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCCO)C(=O)NC)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCCO)C(=O)NC)C

InChI

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