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

Systemtic Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 2-[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 2-[4-(3-chlorophenyl)sulfonylpiperazino]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C20H23ClN4O5S MolecularWeight: 466.93842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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