N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[[5-(4-bromophenyl)-2-furyl]methyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[[5-(4-bromophenyl)-2-furanyl]methyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-[[5-(4-bromophenyl)-2-furyl]methyl]-1-mesyl-nipecotamide Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H21BrN2O4S/c1-26(23,24)21-10-2-3-14(12-21)18(22)20-11-16-8-9-17(25-16)13-4-6-15(19)7-5-13/h4-9,14H,2-3,10-12H2,1H3,(H,20,22)