2-[methylsulfonyl-(3-nitrophenyl)amino]-N-(3-piperidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-(3-piperidin-1-ylpropyl)ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-[3-(1-piperidyl)propyl]acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[3-(1-piperidinyl)propyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-(3-piperidin-1-ylpropyl)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(3-piperidinopropyl)acetamide Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCCCC1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCCCC1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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