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

Systemtic Name: 8-(4-but-2-ynoxyphenyl)sulfonyl-3-(phenylmethyl)-11-thia-3,8-diazaspiro[5.5]undecane-7-carboxylic acid Openeye Name: 3-benzyl-8-(4-but-2-ynoxyphenyl)sulfonyl-11-thia-3,8-diazaspiro[5.5]undecane-7-carboxylic acid CAS Name: 8-(4-but-2-ynoxyphenyl)sulfonyl-3-(phenylmethyl)-11-thia-3,8-diazaspiro[5.5]undecane-7-carboxylic acid IUPAC Name: 3-benzyl-8-(4-but-2-ynoxyphenyl)sulfonyl-11-thia-3,8-diazaspiro[5.5]undecane-7-carboxylic acid Traditional Name: 3-benzyl-8-(4-but-2-ynoxyphenyl)sulfonyl-11-thia-3,8-diazaspiro[5.5]undecane-7-carboxylic acid Formula: C26H30N2O5S2 MolecularWeight: 514.6568

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC3(C2C(=O)O)CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC3(C2C(=O)O)CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O5S2/c1-2-3-18-33-22-9-11-23(12-10-22)35(31,32)28-17-19-34-26(24(28)25(29)30)13-15-27(16-14-26)20-21-7-5-4-6-8-21/h4-12,24H,13-20H2,1H3,(H,29,30)