2-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 2-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 2-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 2-methyl-3-[2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 2-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-[4-(2-nitrophenyl)sulfonylpiperazino]ethyl]-2-methyl-quinazolin-4-one Formula: C21H21N5O6S MolecularWeight: 471.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6S/c1-15-22-17-7-3-2-6-16(17)21(28)25(15)14-20(27)23-10-12-24(13-11-23)33(31,32)19-9-5-4-8-18(19)26(29)30/h2-9H,10-14H2,1H3