4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-(4-methyl-3-piperidinosulfonyl-phenyl)butyramide Formula: C25H30N2O6S MolecularWeight: 486.5805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H30N2O6S/c1-18-6-8-20(17-24(18)34(30,31)27-12-3-2-4-13-27)26-25(29)11-9-21(28)19-7-10-22-23(16-19)33-15-5-14-32-22/h6-8,10,16-17H,2-5,9,11-15H2,1H3,(H,26,29)