N-(3-bromophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(3-bromophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(3-bromophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-bromophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(3-bromophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(3-bromophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)Br)OC1

InChI

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