methyl 5-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[4-cycloheptyl-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-cycloheptyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[4-cycloheptyl-5-(3-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C27H34N4O6S2 MolecularWeight: 574.71206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(N2C3CCCCCC3)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(N2C3CCCCCC3)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5)C(=O)OC

InChI

InChI=1S/C27H34N4O6S2/c1-19-24(26(32)35-2)17-22(37-19)18-38-27-29-28-25(31(27)21-9-5-3-4-6-10-21)20-8-7-11-23(16-20)39(33,34)30-12-14-36-15-13-30/h7-8,11,16-17,21H,3-6,9-10,12-15,18H2,1-2H3