N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[3-(2-amino-2-oxo-ethoxy)phenyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[3-(2-amino-2-keto-ethoxy)phenyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C23H27N3O7S MolecularWeight: 489.54138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O7S/c24-22(27)15-33-18-4-1-3-17(13-18)25-23(28)16-7-9-26(10-8-16)34(29,30)19-5-6-20-21(14-19)32-12-2-11-31-20/h1,3-6,13-14,16H,2,7-12,15H2,(H2,24,27)(H,25,28)