3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-N-(5-methylisoxazol-3-yl)propionamide Formula: C20H26N4O6S MolecularWeight: 450.50864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H26N4O6S/c1-15-13-19(22-30-15)21-20(25)5-6-23-7-9-24(10-8-23)31(26,27)16-3-4-17-18(14-16)29-12-2-11-28-17/h3-4,13-14H,2,5-12H2,1H3,(H,21,22,25)