2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-piperidinosulfonylphenyl)propionamide Formula: C23H28N6O3S2 MolecularWeight: 500.63682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N3C(=NN=C3SCC4=CC=CC=C4)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N3C(=NN=C3SCC4=CC=CC=C4)N

InChI

InChI=1S/C23H28N6O3S2/c1-17(29-22(24)26-27-23(29)33-16-18-8-4-2-5-9-18)21(30)25-19-10-12-20(13-11-19)34(31,32)28-14-6-3-7-15-28/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3,(H2,24,26)(H,25,30)