N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C25H30N4O8S MolecularWeight: 546.5927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2COC3=CC=CC=C3O2)C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCC2COC3=CC=CC=C3O2)C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O8S/c30-25(26-16-19-17-36-23-3-1-2-4-24(23)37-19)18-7-9-27(10-8-18)21-6-5-20(15-22(21)29(31)32)38(33,34)28-11-13-35-14-12-28/h1-6,15,18-19H,7-14,16-17H2,(H,26,30)