N-[3-[4-(3-methoxyphenyl)-5-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide

Systemtic Name: N-[3-[4-(3-methoxyphenyl)-5-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(3-methoxyphenyl)-5-[2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(3-methoxyphenyl)-5-[[2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(3-methoxyphenyl)-5-[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[5-[[2-keto-2-(4-piperidinosulfonylphenyl)ethyl]thio]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]propyl]acetamide Formula: C27H33N5O5S2 MolecularWeight: 571.71142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=NN=C(N1C2=CC(=CC=C2)OC)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(=O)NCCCC1=NN=C(N1C2=CC(=CC=C2)OC)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C27H33N5O5S2/c1-20(33)28-15-7-10-26-29-30-27(32(26)22-8-6-9-23(18-22)37-2)38-19-25(34)21-11-13-24(14-12-21)39(35,36)31-16-4-3-5-17-31/h6,8-9,11-14,18H,3-5,7,10,15-17,19H2,1-2H3,(H,28,33)