N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazino]propionamide Formula: C21H25FN4O5S MolecularWeight: 464.510403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C

InChI

InChI=1S/C21H25FN4O5S/c1-14-8-9-18(26(28)29)20(15(14)2)23-21(27)16(3)24-10-12-25(13-11-24)32(30,31)19-7-5-4-6-17(19)22/h4-9,16H,10-13H2,1-3H3,(H,23,27)