1-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-cycloheptyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C22H30N4O4S2 MolecularWeight: 478.628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2CCCCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2CCCCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H30N4O4S2/c1-17(27)16-31-22-24-23-21(26(22)19-8-4-2-3-5-9-19)18-7-6-10-20(15-18)32(28,29)25-11-13-30-14-12-25/h6-7,10,15,19H,2-5,8-9,11-14,16H2,1H3