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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-(azepan-1-ylsulfonyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-(1-azepanylsulfonyl)-4-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-(azepan-1-ylsulfonyl)-4-[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]-1,4-benzoxazin-3-one Formula: C27H34N4O6S MolecularWeight: 542.64706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C27H34N4O6S/c1-36-24-9-5-4-8-22(24)28-14-16-29(17-15-28)26(32)19-31-23-18-21(10-11-25(23)37-20-27(31)33)38(34,35)30-12-6-2-3-7-13-30/h4-5,8-11,18H,2-3,6-7,12-17,19-20H2,1H3