N-[1-(3-bromophenyl)ethyl]-1-propylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(3-bromophenyl)ethyl]-1-propylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[1-(3-bromophenyl)ethyl]-1-propylsulfonyl-piperidine-3-carboxamide CAS Name: N-[1-(3-bromophenyl)ethyl]-1-propylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[1-(3-bromophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide Traditional Name: N-[1-(3-bromophenyl)ethyl]-1-propylsulfonyl-nipecotamide Formula: C17H25BrN2O3S MolecularWeight: 417.361

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC(C)C2=CC(=CC=C2)Br

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC(C)C2=CC(=CC=C2)Br

InChI

InChI=1S/C17H25BrN2O3S/c1-3-10-24(22,23)20-9-5-7-15(12-20)17(21)19-13(2)14-6-4-8-16(18)11-14/h4,6,8,11,13,15H,3,5,7,9-10,12H2,1-2H3,(H,19,21)