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

Systemtic Name: N-(4-acetamidophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(4-acetamidophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-acetamidophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(4-acetamidophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C23H27N3O6S MolecularWeight: 473.54198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H27N3O6S/c1-16(27)24-18-3-5-19(6-4-18)25-23(28)17-9-11-26(12-10-17)33(29,30)20-7-8-21-22(15-20)32-14-2-13-31-21/h3-8,15,17H,2,9-14H2,1H3,(H,24,27)(H,25,28)