N-(2-chloranyl-5-nitro-phenyl)-2-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[4-(4-isobutylphenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[4-(4-isobutylphenyl)sulfonylpiperazino]acetamide Formula: C22H27ClN4O5S MolecularWeight: 494.99158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O5S/c1-16(2)13-17-3-6-19(7-4-17)33(31,32)26-11-9-25(10-12-26)15-22(28)24-21-14-18(27(29)30)5-8-20(21)23/h3-8,14,16H,9-13,15H2,1-2H3,(H,24,28)