1-[(4-bromophenyl)methylsulfonyl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(4-ethoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-p-phenetyl-isonipecotamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-2-28-20-9-7-19(8-10-20)23-21(25)17-11-13-24(14-12-17)29(26,27)15-16-3-5-18(22)6-4-16/h3-10,17H,2,11-15H2,1H3,(H,23,25)