1-[(3-bromophenyl)methylsulfonyl]-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[1-(3,4-diethoxyphenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[1-(3,4-diethoxyphenyl)ethyl]isonipecotamide Formula: C25H33BrN2O5S MolecularWeight: 553.50892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33BrN2O5S/c1-4-32-23-10-9-21(16-24(23)33-5-2)18(3)27-25(29)20-11-13-28(14-12-20)34(30,31)17-19-7-6-8-22(26)15-19/h6-10,15-16,18,20H,4-5,11-14,17H2,1-3H3,(H,27,29)