N-(2-ethyl-6-methyl-phenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazino]acetamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O5S/c1-3-17-8-6-7-16(2)21(17)22-20(26)15-23-11-13-24(14-12-23)31(29,30)19-10-5-4-9-18(19)25(27)28/h4-10H,3,11-15H2,1-2H3,(H,22,26)