1-[(3-bromophenyl)methylsulfonyl]-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-methoxy-5-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(2-methoxy-5-nitro-phenyl)isonipecotamide Formula: C20H22BrN3O6S MolecularWeight: 512.37418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrN3O6S/c1-30-19-6-5-17(24(26)27)12-18(19)22-20(25)15-7-9-23(10-8-15)31(28,29)13-14-3-2-4-16(21)11-14/h2-6,11-12,15H,7-10,13H2,1H3,(H,22,25)