2-[[(3R,4S)-6-chloranyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-methylsulfonyl-amino]-N-phenethyl-ethanamide

Systemtic Name: 2-[[(3R,4S)-6-chloranyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-methylsulfonyl-amino]-N-phenethyl-ethanamide Openeye Name: 2-[[(3R,4S)-6-chloro-3-hydroxy-2,2-dimethyl-chroman-4-yl]-methylsulfonyl-amino]-N-phenethyl-acetamide CAS Name: 2-[[(3R,4S)-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-methylsulfonylamino]-N-phenethylacetamide IUPAC Name: 2-[[(3R,4S)-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-methylsulfonylamino]-N-phenethylacetamide Traditional Name: 2-[[(3R,4S)-6-chloro-3-hydroxy-2,2-dimethyl-chroman-4-yl]-mesyl-amino]-N-phenethyl-acetamide Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)Cl)N(CC(=O)NCCC3=CC=CC=C3)S(=O)(=O)C)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)Cl)N(CC(=O)NCCC3=CC=CC=C3)S(=O)(=O)C)O)C

InChI

InChI=1S/C22H27ClN2O5S/c1-22(2)21(27)20(17-13-16(23)9-10-18(17)30-22)25(31(3,28)29)14-19(26)24-12-11-15-7-5-4-6-8-15/h4-10,13,20-21,27H,11-12,14H2,1-3H3,(H,24,26)/t20-,21+/m0/s1