1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-N-(2-methyl-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-(2-methyl-3-nitro-phenyl)isonipecotamide Formula: C17H18BrN3O5S2 MolecularWeight: 488.37592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H18BrN3O5S2/c1-11-13(3-2-4-14(11)21(23)24)19-17(22)12-7-9-20(10-8-12)28(25,26)16-6-5-15(18)27-16/h2-6,12H,7-10H2,1H3,(H,19,22)