1-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)-4-(phenylsulfonyl)piperazine

Systemtic Name: 1-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-(4-fluoro-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazine CAS Name: 1-(benzenesulfonyl)-4-[4-fluoro-2-nitro-5-(1-pyrrolidinyl)phenyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)piperazine Traditional Name: 1-besyl-4-(4-fluoro-2-nitro-5-pyrrolidino-phenyl)piperazine Formula: C20H23FN4O4S MolecularWeight: 434.484423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-])F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-])F

InChI

InChI=1S/C20H23FN4O4S/c21-17-14-20(25(26)27)19(15-18(17)22-8-4-5-9-22)23-10-12-24(13-11-23)30(28,29)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2