(3S,4R)-4-azanyl-6-(azepan-1-ylsulfonyl)-2,2-dimethyl-3,4-dihydrochromen-3-ol

Systemtic Name: (3S,4R)-4-azanyl-6-(azepan-1-ylsulfonyl)-2,2-dimethyl-3,4-dihydrochromen-3-ol Openeye Name: (3S,4R)-4-amino-6-(azepan-1-ylsulfonyl)-2,2-dimethyl-chroman-3-ol CAS Name: (3S,4R)-4-amino-6-(1-azepanylsulfonyl)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: (3S,4R)-4-amino-6-(azepan-1-ylsulfonyl)-2,2-dimethyl-3,4-dihydrochromen-3-ol Traditional Name: (3S,4R)-4-amino-6-(azepan-1-ylsulfonyl)-2,2-dimethyl-chroman-3-ol Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCCC3)N)O)C

InChI

InChI=1S/C17H26N2O4S/c1-17(2)16(20)15(18)13-11-12(7-8-14(13)23-17)24(21,22)19-9-5-3-4-6-10-19/h7-8,11,15-16,20H,3-6,9-10,18H2,1-2H3/t15-,16+/m1/s1