2-[1-(2-methoxy-4-nitro-phenyl)sulfonylpiperidin-3-yl]-1,3-benzoxazole

Systemtic Name: 2-[1-(2-methoxy-4-nitro-phenyl)sulfonylpiperidin-3-yl]-1,3-benzoxazole Openeye Name: 2-[1-(2-methoxy-4-nitro-phenyl)sulfonyl-3-piperidyl]-1,3-benzoxazole CAS Name: 2-[1-(2-methoxy-4-nitrophenyl)sulfonyl-3-piperidinyl]-1,3-benzoxazole IUPAC Name: 2-[1-(2-methoxy-4-nitrophenyl)sulfonylpiperidin-3-yl]-1,3-benzoxazole Traditional Name: 2-[1-(2-methoxy-4-nitro-phenyl)sulfonyl-3-piperidyl]-1,3-benzoxazole Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H19N3O6S/c1-27-17-11-14(22(23)24)8-9-18(17)29(25,26)21-10-4-5-13(12-21)19-20-15-6-2-3-7-16(15)28-19/h2-3,6-9,11,13H,4-5,10,12H2,1H3