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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C16H22N6O4S2 MolecularWeight: 426.51368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C16H22N6O4S2/c1-26-12-6-5-11(18-14(23)10-27-16-19-15(17)20-21-16)9-13(12)28(24,25)22-7-3-2-4-8-22/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,23)(H3,17,19,20,21)