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

Systemtic Name: N-butan-2-yl-2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: 2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[4-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-butan-2-yl-2-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: 2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazino]-N-sec-butyl-acetamide Formula: C17H26N4O5S MolecularWeight: 398.47714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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