1-[(3-bromophenyl)methylsulfonyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(2,3,4-trimethoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(2,3,4-trimethoxybenzyl)isonipecotamide Formula: C23H29BrN2O6S MolecularWeight: 541.45516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br)OC)OC

InChI

InChI=1S/C23H29BrN2O6S/c1-30-20-8-7-18(21(31-2)22(20)32-3)14-25-23(27)17-9-11-26(12-10-17)33(28,29)15-16-5-4-6-19(24)13-16/h4-8,13,17H,9-12,14-15H2,1-3H3,(H,25,27)