N-butan-2-yl-2-[4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-butan-2-yl-2-[4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: 2-[4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-butan-2-yl-2-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: 2-[4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazino]-N-sec-butyl-acetamide Formula: C17H25ClN4O5S MolecularWeight: 432.9222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCC(C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C17H25ClN4O5S/c1-4-12(2)19-17(23)11-20-5-7-21(8-6-20)28(26,27)14-9-15(18)13(3)16(10-14)22(24)25/h9-10,12H,4-8,11H2,1-3H3,(H,19,23)