N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)isonipecotamide Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21BrN2O5S/c21-16-12-18-19(28-11-10-27-18)13-17(16)22-20(24)14-6-8-23(9-7-14)29(25,26)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,22,24)