2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-yl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: 2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-N-pentan-3-ylacetamide IUPAC Name: 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide Traditional Name: N-(1-ethylpropyl)-2-[4-(3-nitrophenyl)sulfonylpiperazino]acetamide Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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