2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

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