N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-ethylsulfonyl-N-methyl-piperidine-4-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-ethylsulfonyl-N-methyl-piperidine-4-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-ethylsulfonyl-N-methyl-piperidine-4-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-ethylsulfonyl-N-methyl-4-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-1-esyl-N-methyl-isonipecotamide Formula: C17H25BrN2O4S MolecularWeight: 433.3604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)N(C)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)N(C)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C17H25BrN2O4S/c1-4-25(22,23)20-9-7-13(8-10-20)17(21)19(2)12-14-11-15(18)5-6-16(14)24-3/h5-6,11,13H,4,7-10,12H2,1-3H3