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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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