3-[(4-nitrophenyl)methyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[(4-nitrophenyl)methyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-[(4-nitrophenyl)methyl]-6-(1-piperidylsulfonyl)-1,3-benzoxazol-2-one CAS Name: 3-[(4-nitrophenyl)methyl]-6-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-one IUPAC Name: 3-[(4-nitrophenyl)methyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-(4-nitrobenzyl)-6-piperidinosulfonyl-1,3-benzoxazol-2-one Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6S/c23-19-21(13-14-4-6-15(7-5-14)22(24)25)17-9-8-16(12-18(17)28-19)29(26,27)20-10-2-1-3-11-20/h4-9,12H,1-3,10-11,13H2