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

Systemtic Name: (2S)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2S)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-N-[3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[(1-phenyl-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=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S2/c1-17(31-22-23-16-27(25-22)19-10-4-2-5-11-19)21(28)24-18-9-8-12-20(15-18)32(29,30)26-13-6-3-7-14-26/h2,4-5,8-12,15-17H,3,6-7,13-14H2,1H3,(H,24,28)/t17-/m0/s1