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

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]isonipecotamide Formula: C22H25N5O6S MolecularWeight: 487.5288

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6S/c1-34(31,32)16-6-7-17(19(14-16)27(29)30)23-10-11-24-21(28)15-8-12-26(13-9-15)22-25-18-4-2-3-5-20(18)33-22/h2-7,14-15,23H,8-13H2,1H3,(H,24,28)