N-[5-[[8-[3-(4-cyanophenyl)sulfonylpropyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-[5-[[8-[3-(4-cyanophenyl)sulfonylpropyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]ethanamide Openeye Name: N-[5-[[8-[3-(4-cyanophenyl)sulfonylpropyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]-4-methyl-thiazol-2-yl]acetamide CAS Name: N-[5-[[8-[3-(4-cyanophenyl)sulfonylpropyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]-4-methyl-2-thiazolyl]acetamide IUPAC Name: N-[5-[[8-[3-(4-cyanophenyl)sulfonylpropyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide Traditional Name: N-[5-[[8-[3-(4-cyanophenyl)sulfonylpropyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]-4-methyl-thiazol-2-yl]acetamide Formula: C22H27N5O5S3 MolecularWeight: 537.67528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)N2CC3CCC(C2)N3CCCS(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)N2CC3CCC(C2)N3CCCS(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H27N5O5S3/c1-15-21(33-22(24-15)25-16(2)28)35(31,32)26-13-18-6-7-19(14-26)27(18)10-3-11-34(29,30)20-8-4-17(12-23)5-9-20/h4-5,8-9,18-19H,3,6-7,10-11,13-14H2,1-2H3,(H,24,25,28)