1-(4-bromophenyl)sulfonyl-N-[2-(dimethylaminomethyl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)sulfonyl-N-[2-(dimethylaminomethyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-[2-(dimethylaminomethyl)phenyl]piperidine-3-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-[2-(dimethylaminomethyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-[2-(dimethylaminomethyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-brosyl-N-[2-(dimethylaminomethyl)phenyl]nipecotamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(C)CC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O3S/c1-24(2)14-16-6-3-4-8-20(16)23-21(26)17-7-5-13-25(15-17)29(27,28)19-11-9-18(22)10-12-19/h3-4,6,8-12,17H,5,7,13-15H2,1-2H3,(H,23,26)