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

Systemtic Name: ethyl 8-(4-but-2-ynoxyphenyl)sulfonyl-3-(phenylmethyl)-11-thia-3,8-diazaspiro[5.5]undecane-7-carboxylate Openeye Name: ethyl 3-benzyl-8-(4-but-2-ynoxyphenyl)sulfonyl-11-thia-3,8-diazaspiro[5.5]undecane-7-carboxylate CAS Name: 8-(4-but-2-ynoxyphenyl)sulfonyl-3-(phenylmethyl)-11-thia-3,8-diazaspiro[5.5]undecane-7-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-8-(4-but-2-ynoxyphenyl)sulfonyl-11-thia-3,8-diazaspiro[5.5]undecane-7-carboxylate Traditional Name: 3-benzyl-8-(4-but-2-ynoxyphenyl)sulfonyl-11-thia-3,8-diazaspiro[5.5]undecane-7-carboxylic acid ethyl ester Formula: C28H34N2O5S2 MolecularWeight: 542.70996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2(CCN(CC2)CC3=CC=CC=C3)SCCN1S(=O)(=O)C4=CC=C(C=C4)OCC#CC

Isomeric SMILES

CCOC(=O)C1C2(CCN(CC2)CC3=CC=CC=C3)SCCN1S(=O)(=O)C4=CC=C(C=C4)OCC#CC

InChI

InChI=1S/C28H34N2O5S2/c1-3-5-20-35-24-11-13-25(14-12-24)37(32,33)30-19-21-36-28(26(30)27(31)34-4-2)15-17-29(18-16-28)22-23-9-7-6-8-10-23/h6-14,26H,4,15-22H2,1-2H3