N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H30N2O6S/c28-22(19-6-12-23-24(18-19)33-17-5-16-32-23)11-13-25(29)26-20-7-9-21(10-8-20)34(30,31)27-14-3-1-2-4-15-27/h6-10,12,18H,1-5,11,13-17H2,(H,26,29)