2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(1-piperidylsulfonyl)phenyl]butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[4-(1-piperidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-piperidinosulfonylphenyl)butyramide Formula: C25H32N6O3S2 MolecularWeight: 528.68998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C25H32N6O3S2/c1-2-22(31-24(26)28-29-25(31)35-18-15-19-9-5-3-6-10-19)23(32)27-20-11-13-21(14-12-20)36(33,34)30-16-7-4-8-17-30/h3,5-6,9-14,22H,2,4,7-8,15-18H2,1H3,(H2,26,28)(H,27,32)