1-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[4-cyclopentyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-cyclopentyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C23H32N4O4S2 MolecularWeight: 492.65458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C2CCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C2CCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H32N4O4S2/c1-23(2,3)20(28)16-32-22-25-24-21(27(22)18-8-4-5-9-18)17-7-6-10-19(15-17)33(29,30)26-11-13-31-14-12-26/h6-7,10,15,18H,4-5,8-9,11-14,16H2,1-3H3