N-(4-methylphenyl)sulfonyl-8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carboxamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carboxamide Openeye Name: 8-(3-phenylprop-2-ynoyl)-N-(p-tolylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carboxamide CAS Name: N-(4-methylphenyl)sulfonyl-8-(1-oxo-3-phenylprop-2-ynyl)-3,8-diazaspiro[4.5]decane-3-carboxamide IUPAC Name: N-(4-methylphenyl)sulfonyl-8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carboxamide Traditional Name: 8-(3-phenylpropioloyl)-N-tosyl-3,8-diazaspiro[4.5]decane-3-carboxamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-20-7-10-22(11-8-20)33(31,32)26-24(30)28-18-15-25(19-28)13-16-27(17-14-25)23(29)12-9-21-5-3-2-4-6-21/h2-8,10-11H,13-19H2,1H3,(H,26,30)