(3S)-4-(4-hept-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide

Systemtic Name: (3S)-4-(4-hept-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide Openeye Name: (3S)-4-(4-hept-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid CAS Name: (3S)-4-(4-hept-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethyl-3-thiomorpholinecarboxamide IUPAC Name: (3S)-4-(4-hept-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide Traditional Name: (3S)-4-(4-hept-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid Formula: C20H28N2O5S2 MolecularWeight: 440.57672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)NO)(C)C

Isomeric SMILES

CCCCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC([C@@H]2C(=O)NO)(C)C

InChI

InChI=1S/C20H28N2O5S2/c1-4-5-6-7-8-14-27-16-9-11-17(12-10-16)29(25,26)22-13-15-28-20(2,3)18(22)19(23)21-24/h9-12,18,24H,4-6,13-15H2,1-3H3,(H,21,23)/t18-/m0/s1