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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3,4-dimethoxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3,4-dimethoxyphenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3,4-dimethoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3,4-dimethoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(3,4-dimethoxyphenyl)isonipecotamide Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O5S/c1-28-19-7-6-18(13-20(19)29-2)23-21(25)16-8-10-24(11-9-16)30(26,27)14-15-4-3-5-17(22)12-15/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,23,25)