1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-dimethylaminophenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-dimethylaminophenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-dimethylaminophenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-dimethylaminophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4-dimethylaminophenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[4-(dimethylamino)benzyl]isonipecotamide Formula: C24H31N3O5S MolecularWeight: 473.58504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H31N3O5S/c1-26(2)20-6-4-18(5-7-20)17-25-24(28)19-10-12-27(13-11-19)33(29,30)21-8-9-22-23(16-21)32-15-3-14-31-22/h4-9,16,19H,3,10-15,17H2,1-2H3,(H,25,28)