N-(3-fluorophenyl)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(3-fluorophenyl)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(3-fluorophenyl)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(3-fluorophenyl)-3-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(3-fluorophenyl)-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(3-fluorophenyl)-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propionamide Formula: C20H23FN4O5S MolecularWeight: 450.483823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H23FN4O5S/c1-15-5-6-18(25(27)28)14-19(15)31(29,30)24-11-9-23(10-12-24)8-7-20(26)22-17-4-2-3-16(21)13-17/h2-6,13-14H,7-12H2,1H3,(H,22,26)