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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-4-[2-oxidanylidene-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-(azepan-1-ylsulfonyl)-4-[2-oxo-2-[4-(1-piperidyl)-1-piperidyl]ethyl]-1,4-benzoxazin-3-one CAS Name: 6-(1-azepanylsulfonyl)-4-[2-oxo-2-[4-(1-piperidinyl)-1-piperidinyl]ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one Traditional Name: 6-(azepan-1-ylsulfonyl)-4-[2-keto-2-(4-piperidinopiperidino)ethyl]-1,4-benzoxazin-3-one Formula: C26H38N4O5S MolecularWeight: 518.66872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCC(CC4)N5CCCCC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C26H38N4O5S/c31-25(28-16-10-21(11-17-28)27-12-4-3-5-13-27)19-30-23-18-22(8-9-24(23)35-20-26(30)32)36(33,34)29-14-6-1-2-7-15-29/h8-9,18,21H,1-7,10-17,19-20H2