[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-(2-fluorophenyl)methanone

Systemtic Name: [4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-(2-fluorophenyl)methanone Openeye Name: [4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-(2-fluorophenyl)methanone CAS Name: [4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-(2-fluorophenyl)methanone IUPAC Name: [4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-1-yl]-(2-fluorophenyl)methanone Traditional Name: [4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazino]-(2-fluorophenyl)methanone Formula: C23H27FN4O5S MolecularWeight: 490.547683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C23H27FN4O5S/c24-20-8-4-3-7-19(20)23(29)26-15-13-25(14-16-26)21-10-9-18(17-22(21)28(30)31)34(32,33)27-11-5-1-2-6-12-27/h3-4,7-10,17H,1-2,5-6,11-16H2