7-nitro-3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 7-nitro-3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-7-nitro-quinazolin-4-one CAS Name: 3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-7-nitro-4-quinazolinone IUPAC Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-7-nitroquinazolin-4-one Traditional Name: 3-[2-(4-besylpiperazino)-2-keto-ethyl]-7-nitro-quinazolin-4-one Formula: C20H19N5O6S MolecularWeight: 457.45976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O6S/c26-19(13-23-14-21-18-12-15(25(28)29)6-7-17(18)20(23)27)22-8-10-24(11-9-22)32(30,31)16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2