1-[(4-bromophenyl)methylsulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isonipecotamide Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H23BrN2O5S/c22-17-3-1-15(2-4-17)14-30(26,27)24-9-7-16(8-10-24)21(25)23-18-5-6-19-20(13-18)29-12-11-28-19/h1-6,13,16H,7-12,14H2,(H,23,25)