N-(1,3-benzodioxol-5-ylmethyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepane-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-piperonyl-1,4-diazepane-1-carboxamide Formula: C19H24N4O6S MolecularWeight: 436.48206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H24N4O6S/c1-13-18(14(2)29-21-13)30(25,26)23-7-3-6-22(8-9-23)19(24)20-11-15-4-5-16-17(10-15)28-12-27-16/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,20,24)