3-[2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 3-[2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]ethyl]quinazolin-4-one Formula: C21H21N5O7S MolecularWeight: 487.48574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O7S/c1-33-19-7-6-15(12-18(19)26(29)30)34(31,32)25-10-8-23(9-11-25)20(27)13-24-14-22-17-5-3-2-4-16(17)21(24)28/h2-7,12,14H,8-11,13H2,1H3