1-[7-[2-(3-methylthiophen-2-yl)azepan-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

Systemtic Name: 1-[7-[2-(3-methylthiophen-2-yl)azepan-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Openeye Name: 1-[7-[2-(3-methyl-2-thienyl)azepan-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone CAS Name: 1-[7-[[2-(3-methyl-2-thiophenyl)-1-azepanyl]sulfonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone IUPAC Name: 1-[7-[2-(3-methylthiophen-2-yl)azepan-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Traditional Name: 1-[7-[2-(3-methyl-2-thienyl)azepan-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2CCCCCN2S(=O)(=O)C3=CC4=C(C=C3)N(CCO4)C(=O)C

Isomeric SMILES

CC1=C(SC=C1)C2CCCCCN2S(=O)(=O)C3=CC4=C(C=C3)N(CCO4)C(=O)C

InChI

InChI=1S/C21H26N2O4S2/c1-15-9-13-28-21(15)19-6-4-3-5-10-23(19)29(25,26)17-7-8-18-20(14-17)27-12-11-22(18)16(2)24/h7-9,13-14,19H,3-6,10-12H2,1-2H3