2-[2,2-dimethyl-6-(1,4-oxathian-3-ylsulfonyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine

Systemtic Name: 2-[2,2-dimethyl-6-(1,4-oxathian-3-ylsulfonyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine Openeye Name: 2-[3-hydroxy-2,2-dimethyl-6-(1,4-oxathian-3-ylsulfonyl)chroman-4-yl]guanidine CAS Name: 2-[3-hydroxy-2,2-dimethyl-6-(1,4-oxathian-3-ylsulfonyl)-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine IUPAC Name: 2-[3-hydroxy-2,2-dimethyl-6-(1,4-oxathian-3-ylsulfonyl)-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-[3-hydroxy-2,2-dimethyl-6-(1,4-oxathian-3-ylsulfonyl)chroman-4-yl]guanidine Formula: C16H23N3O5S2 MolecularWeight: 401.50092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3COCCS3)N=C(N)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3COCCS3)N=C(N)N)O)C

InChI

InChI=1S/C16H23N3O5S2/c1-16(2)14(20)13(19-15(17)18)10-7-9(3-4-11(10)24-16)26(21,22)12-8-23-5-6-25-12/h3-4,7,12-14,20H,5-6,8H2,1-2H3,(H4,17,18,19)