azepan-1-yl-(6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone

Systemtic Name: azepan-1-yl-(6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Openeye Name: azepan-1-yl-(6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone CAS Name: 1-azepanyl-(6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone IUPAC Name: azepan-1-yl-(6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Traditional Name: azepan-1-yl-(6-tert-butyl-4-mesyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N2O4S/c1-20(2,3)15-9-10-17-16(13-15)22(27(4,24)25)14-18(26-17)19(23)21-11-7-5-6-8-12-21/h9-10,13,18H,5-8,11-12,14H2,1-4H3