N-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine

Systemtic Name: N-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine Openeye Name: N-[1-(4-fluorophenyl)sulfonyl-2-piperidyl]-6-nitro-7-piperazin-1-yl-quinazolin-4-amine CAS Name: N-[1-(4-fluorophenyl)sulfonyl-2-piperidinyl]-6-nitro-7-(1-piperazinyl)-4-quinazolinamine IUPAC Name: N-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-6-nitro-7-piperazin-1-ylquinazolin-4-amine Traditional Name: [1-(4-fluorophenyl)sulfonyl-2-piperidyl]-(6-nitro-7-piperazino-quinazolin-4-yl)amine Formula: C23H26FN7O4S MolecularWeight: 515.560443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCNCC4)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C(C1)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])N4CCNCC4)S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H26FN7O4S/c24-16-4-6-17(7-5-16)36(34,35)30-10-2-1-3-22(30)28-23-18-13-21(31(32)33)20(14-19(18)26-15-27-23)29-11-8-25-9-12-29/h4-7,13-15,22,25H,1-3,8-12H2,(H,26,27,28)