2-[5-(azepan-1-ylsulfonyl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine CAS Name: 2-[5-(1-azepanylsulfonyl)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC=C2S(=O)(=O)N3CCCCCC3)N=C(N)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC=C2S(=O)(=O)N3CCCCCC3)N=C(N)N)O)C

InChI

InChI=1S/C18H28N4O4S/c1-18(2)16(23)15(21-17(19)20)14-12(26-18)8-7-9-13(14)27(24,25)22-10-5-3-4-6-11-22/h7-9,15-16,23H,3-6,10-11H2,1-2H3,(H4,19,20,21)