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

Systemtic Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[5-[(4-bromophenyl)methyl]-2-thiazolyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[5-(4-bromobenzyl)thiazol-2-yl]-1-mesyl-isonipecotamide Formula: C17H20BrN3O3S2 MolecularWeight: 458.393

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H20BrN3O3S2/c1-26(23,24)21-8-6-13(7-9-21)16(22)20-17-19-11-15(25-17)10-12-2-4-14(18)5-3-12/h2-5,11,13H,6-10H2,1H3,(H,19,20,22)