1-[(3-bromophenyl)methylsulfonyl]-N-[2-(4-chlorophenyl)sulfanylethyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(4-chlorophenyl)sulfanylethyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(4-chlorophenyl)sulfanylethyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-[(4-chlorophenyl)thio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(4-chlorophenyl)sulfanylethyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[2-[(4-chlorophenyl)thio]ethyl]isonipecotamide Formula: C21H24BrClN2O3S2 MolecularWeight: 531.91386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H24BrClN2O3S2/c22-18-3-1-2-16(14-18)15-30(27,28)25-11-8-17(9-12-25)21(26)24-10-13-29-20-6-4-19(23)5-7-20/h1-7,14,17H,8-13,15H2,(H,24,26)