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

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(5-methylisoxazol-3-yl)butanamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-N-(5-methyl-3-isoxazolyl)butanamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-N-(5-methylisoxazol-3-yl)butyramide Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H28N4O6S/c1-3-17(21(26)22-20-13-15(2)31-23-20)24-7-9-25(10-8-24)32(27,28)16-5-6-18-19(14-16)30-12-4-11-29-18/h5-6,13-14,17H,3-4,7-12H2,1-2H3,(H,22,23,26)