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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propionamide Formula: C20H22ClFN4O5S MolecularWeight: 484.928883

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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)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClFN4O5S/c1-13-3-5-16(26(28)29)12-19(13)32(30,31)25-9-7-24(8-10-25)14(2)20(27)23-15-4-6-18(22)17(21)11-15/h3-6,11-12,14H,7-10H2,1-2H3,(H,23,27)