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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[4-(1-piperidyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[4-(1-piperidinyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-piperidinophenyl)isonipecotamide Formula: C26H33N3O5S MolecularWeight: 499.62232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C26H33N3O5S/c30-26(27-21-5-7-22(8-6-21)28-13-2-1-3-14-28)20-11-15-29(16-12-20)35(31,32)23-9-10-24-25(19-23)34-18-4-17-33-24/h5-10,19-20H,1-4,11-18H2,(H,27,30)