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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-(azepan-1-ylsulfonyl)-4-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-(1-azepanylsulfonyl)-4-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-(azepan-1-ylsulfonyl)-4-[2-(4-benzylpiperazino)-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C27H34N4O5S MolecularWeight: 526.64766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H34N4O5S/c32-26(29-16-14-28(15-17-29)19-22-8-4-3-5-9-22)20-31-24-18-23(10-11-25(24)36-21-27(31)33)37(34,35)30-12-6-1-2-7-13-30/h3-5,8-11,18H,1-2,6-7,12-17,19-21H2