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

Systemtic Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(3-fluorobenzyl)-N-methyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propionamide Formula: C22H27FN4O5S MolecularWeight: 478.536983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C(=O)N(C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C(=O)N(C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H27FN4O5S/c1-16-7-8-20(27(29)30)14-21(16)33(31,32)26-11-9-25(10-12-26)17(2)22(28)24(3)15-18-5-4-6-19(23)13-18/h4-8,13-14,17H,9-12,15H2,1-3H3