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

Systemtic Name: 3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-7-nitro-quinazolin-4-one Openeye Name: 3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-7-nitro-quinazolin-4-one CAS Name: 3-[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-7-nitro-4-quinazolinone IUPAC Name: 3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7-nitroquinazolin-4-one Traditional Name: 3-[2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl]-7-nitro-quinazolin-4-one Formula: C20H18ClN5O6S MolecularWeight: 491.90482

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5O6S/c21-14-1-4-16(5-2-14)33(31,32)25-9-7-23(8-10-25)19(27)12-24-13-22-18-11-15(26(29)30)3-6-17(18)20(24)28/h1-6,11,13H,7-10,12H2