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

Systemtic Name: N-butan-2-yl-2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-yl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]acetamide IUPAC Name: N-butan-2-yl-2-[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]acetamide Traditional Name: 2-[4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazino]-N-sec-butyl-acetamide Formula: C21H33N5O5S MolecularWeight: 467.58222

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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)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H33N5O5S/c1-3-17(2)22-21(27)16-23-11-13-24(14-12-23)19-8-7-18(15-20(19)26(28)29)32(30,31)25-9-5-4-6-10-25/h7-8,15,17H,3-6,9-14,16H2,1-2H3,(H,22,27)