2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-[3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(3-piperidinosulfonylphenyl)propionamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S2/c1-16(31-22-24-20(25-26-22)17-9-4-2-5-10-17)21(28)23-18-11-8-12-19(15-18)32(29,30)27-13-6-3-7-14-27/h2,4-5,8-12,15-16H,3,6-7,13-14H2,1H3,(H,23,28)(H,24,25,26)