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

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(3-pyrrolidinopropyl)acetamide Formula: C16H24N4O5S MolecularWeight: 384.45056

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O5S/c1-26(24,25)19(14-6-4-7-15(12-14)20(22)23)13-16(21)17-8-5-11-18-9-2-3-10-18/h4,6-7,12H,2-3,5,8-11,13H2,1H3,(H,17,21)