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

Systemtic Name: N-[3-(cyclopropylcarbamoyl)phenyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[3-(cyclopropylcarbamoyl)phenyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-[(cyclopropylamino)-oxomethyl]phenyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(cyclopropylcarbamoyl)phenyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[3-(cyclopropylcarbamoyl)phenyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C25H29N3O6S MolecularWeight: 499.57926

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)C(=O)NC5CC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5CC5)OC1

InChI

InChI=1S/C25H29N3O6S/c29-24(27-20-4-1-3-18(15-20)25(30)26-19-5-6-19)17-9-11-28(12-10-17)35(31,32)21-7-8-22-23(16-21)34-14-2-13-33-22/h1,3-4,7-8,15-17,19H,2,5-6,9-14H2,(H,26,30)(H,27,29)