2-[methylsulfonyl-(3-nitrophenyl)amino]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-(3-phenylpropyl)acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-(3-phenylpropyl)acetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-(3-phenylpropyl)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(3-phenylpropyl)acetamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCC1=CC=CC=C1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCC1=CC=CC=C1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-27(25,26)20(16-10-5-11-17(13-16)21(23)24)14-18(22)19-12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,19,22)