7-chloranyl-6-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]quinazoline

Systemtic Name: 7-chloranyl-6-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]quinazoline Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloro-6-nitro-quinazoline CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-7-chloro-6-nitroquinazoline IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-7-chloro-6-nitroquinazoline Traditional Name: 4-(4-besylpiperazino)-7-chloro-6-nitro-quinazoline Formula: C18H16ClN5O4S MolecularWeight: 433.86874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H16ClN5O4S/c19-15-11-16-14(10-17(15)24(25)26)18(21-12-20-16)22-6-8-23(9-7-22)29(27,28)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2