8-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-3-(phenylmethyl)-11-thia-3,8-diazaspiro[5.5]undecane-7-carboxamide

Systemtic Name: 8-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-3-(phenylmethyl)-11-thia-3,8-diazaspiro[5.5]undecane-7-carboxamide Openeye Name: 3-benzyl-8-(4-but-2-ynoxyphenyl)sulfonyl-11-thia-3,8-diazaspiro[5.5]undecane-7-carbohydroxamic acid CAS Name: 8-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-3-(phenylmethyl)-11-thia-3,8-diazaspiro[5.5]undecane-7-carboxamide IUPAC Name: 3-benzyl-8-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-11-thia-3,8-diazaspiro[5.5]undecane-7-carboxamide Traditional Name: 3-benzyl-8-(4-but-2-ynoxyphenyl)sulfonyl-11-thia-3,8-diazaspiro[5.5]undecane-7-carbohydroxamic acid Formula: C26H31N3O5S2 MolecularWeight: 529.67144

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC3(C2C(=O)NO)CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC3(C2C(=O)NO)CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O5S2/c1-2-3-18-34-22-9-11-23(12-10-22)36(32,33)29-17-19-35-26(24(29)25(30)27-31)13-15-28(16-14-26)20-21-7-5-4-6-8-21/h4-12,24,31H,13-20H2,1H3,(H,27,30)