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

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 2-[4-(4-chlorophenyl)sulfonylpiperazino]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C20H23ClN4O5S MolecularWeight: 466.93842

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

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