2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-N-(2-methylsulfonylphenyl)propanamide

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-N-(2-methylsulfonylphenyl)propanamide Openeye Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-N-(2-methylsulfonylphenyl)propanamide CAS Name: 2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-N-(2-methylsulfonylphenyl)propanamide IUPAC Name: 2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-N-(2-methylsulfonylphenyl)propanamide Traditional Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazino]-N-(2-mesylphenyl)propionamide Formula: C20H23ClN4O5S MolecularWeight: 466.93842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1S(=O)(=O)C)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1S(=O)(=O)C)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN4O5S/c1-14(20(26)22-16-5-3-4-6-19(16)31(2,29)30)23-9-11-24(12-10-23)17-8-7-15(21)13-18(17)25(27)28/h3-8,13-14H,9-12H2,1-2H3,(H,22,26)