1-(4-bromophenyl)sulfonyl-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)sulfonyl-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide Traditional Name: 1-brosyl-N-[4-(methoxymethyl)benzyl]nipecotamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COCC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-28-15-17-6-4-16(5-7-17)13-23-21(25)18-3-2-12-24(14-18)29(26,27)20-10-8-19(22)9-11-20/h4-11,18H,2-3,12-15H2,1H3,(H,23,25)