N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C19H27N5O4S2 MolecularWeight: 453.57878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H27N5O4S2/c1-13(2)18-21-19(23-22-18)29-12-17(25)20-14-7-8-15(28-3)16(11-14)30(26,27)24-9-5-4-6-10-24/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,20,25)(H,21,22,23)