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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-(azepan-1-ylsulfonyl)-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one CAS Name: 6-(1-azepanylsulfonyl)-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one Traditional Name: 6-(azepan-1-ylsulfonyl)-4-[2-keto-2-(4-phenylpiperazino)ethyl]-1,4-benzoxazin-3-one Formula: C26H32N4O5S MolecularWeight: 512.62108

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O5S/c31-25(28-16-14-27(15-17-28)21-8-4-3-5-9-21)19-30-23-18-22(10-11-24(23)35-20-26(30)32)36(33,34)29-12-6-1-2-7-13-29/h3-5,8-11,18H,1-2,6-7,12-17,19-20H2