8-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

Systemtic Name: 8-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane Openeye Name: 8-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane CAS Name: 8-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane IUPAC Name: 8-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane Traditional Name: 8-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)S(=O)(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC12OCCO2)S(=O)(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C21H23N3O4S2/c25-30(26,24-10-8-21(9-11-24)27-12-13-28-21)19-16-23(15-17-5-2-1-3-6-17)22-20(19)18-7-4-14-29-18/h1-7,14,16H,8-13,15H2