2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(1-benzyl-4-piperidyl)acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(1-benzylpiperidin-4-yl)acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]-N-(1-benzyl-4-piperidyl)acetamide Formula: C28H36N4O5S MolecularWeight: 540.67424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H36N4O5S/c33-27(29-23-12-16-30(17-13-23)19-22-8-4-3-5-9-22)20-32-25-18-24(10-11-26(25)37-21-28(32)34)38(35,36)31-14-6-1-2-7-15-31/h3-5,8-11,18,23H,1-2,6-7,12-17,19-21H2,(H,29,33)