1-methylsulfonyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]piperidine-3-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]piperidine-3-carboxamide Openeye Name: 1-methylsulfonyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]piperidine-3-carboxamide CAS Name: 1-methylsulfonyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]piperidine-3-carboxamide Traditional Name: 1-mesyl-N-[2-(4-mesyl-2-nitro-anilino)ethyl]nipecotamide Formula: C16H24N4O7S2 MolecularWeight: 448.51436

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2CCCN(C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2CCCN(C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O7S2/c1-28(24,25)13-5-6-14(15(10-13)20(22)23)17-7-8-18-16(21)12-4-3-9-19(11-12)29(2,26)27/h5-6,10,12,17H,3-4,7-9,11H2,1-2H3,(H,18,21)