4-methyl-3-[(6-methyl-3-oxidanyl-4-propanoyl-2-propyl-phenyl)methyl]-1-phenyl-2-sulfonyl-4-(2H-1,2,3,4-tetrazol-5-yl)pentan-1-one

Systemtic Name: 4-methyl-3-[(6-methyl-3-oxidanyl-4-propanoyl-2-propyl-phenyl)methyl]-1-phenyl-2-sulfonyl-4-(2H-1,2,3,4-tetrazol-5-yl)pentan-1-one Openeye Name: 3-[(3-hydroxy-6-methyl-4-propanoyl-2-propyl-phenyl)methyl]-4-methyl-1-phenyl-2-sulfonyl-4-(2H-tetrazol-5-yl)pentan-1-one CAS Name: 3-[[3-hydroxy-6-methyl-4-(1-oxopropyl)-2-propylphenyl]methyl]-4-methyl-1-phenyl-2-sulfonyl-4-(2H-tetrazol-5-yl)-1-pentanone IUPAC Name: 3-[(3-hydroxy-6-methyl-4-propanoyl-2-propylphenyl)methyl]-4-methyl-1-phenyl-2-sulfonyl-4-(2H-tetrazol-5-yl)pentan-1-one Traditional Name: 3-(3-hydroxy-6-methyl-4-propionyl-2-propyl-benzyl)-4-methyl-1-phenyl-2-sulfonyl-4-(2H-tetrazol-5-yl)pentan-1-one Formula: C27H32N4O5S MolecularWeight: 524.63178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1CC(C(=S(=O)=O)C(=O)C2=CC=CC=C2)C(C)(C)C3=NNN=N3)C)C(=O)CC)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1CC(C(=S(=O)=O)C(=O)C2=CC=CC=C2)C(C)(C)C3=NNN=N3)C)C(=O)CC)O

InChI

InChI=1S/C27H32N4O5S/c1-6-11-18-19(16(3)14-20(24(18)34)22(32)7-2)15-21(27(4,5)26-28-30-31-29-26)25(37(35)36)23(33)17-12-9-8-10-13-17/h8-10,12-14,21,34H,6-7,11,15H2,1-5H3,(H,28,29,30,31)