N-butan-2-yl-2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-butan-2-yl-2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-butan-2-yl-2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: 2-[4-(4-mesyl-2-nitro-phenyl)piperazino]-N-sec-butyl-acetamide Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5S/c1-4-13(2)18-17(22)12-19-7-9-20(10-8-19)15-6-5-14(27(3,25)26)11-16(15)21(23)24/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,18,22)