8-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

Systemtic Name: 8-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane Openeye Name: 8-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane CAS Name: 8-[[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane IUPAC Name: 8-(1-benzyl-3-tert-butylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane Traditional Name: 8-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCC3(CC2)OCCO3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCC3(CC2)OCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H29N3O4S/c1-20(2,3)19-18(16-23(22-19)15-17-7-5-4-6-8-17)29(25,26)24-11-9-21(10-12-24)27-13-14-28-21/h4-8,16H,9-15H2,1-3H3