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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-])C

InChI

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