6-(azepan-1-ylsulfonyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-(azepan-1-ylsulfonyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-(azepan-1-ylsulfonyl)-4-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-(1-azepanylsulfonyl)-4-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-(azepan-1-ylsulfonyl)-4-[2-keto-2-(4-methylpiperidino)ethyl]-1,4-benzoxazin-3-one Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H31N3O5S/c1-17-8-12-23(13-9-17)21(26)15-25-19-14-18(6-7-20(19)30-16-22(25)27)31(28,29)24-10-4-2-3-5-11-24/h6-7,14,17H,2-5,8-13,15-16H2,1H3