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

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazino]acetamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c1-16(2)18-8-6-7-17(3)22(18)23-21(27)15-24-11-13-25(14-12-24)32(30,31)20-10-5-4-9-19(20)26(28)29/h4-10,16H,11-15H2,1-3H3,(H,23,27)