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

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-N-(3-piperidinosulfonylphenyl)propionamide Formula: C19H27N5O3S2 MolecularWeight: 437.57938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)C1=NC(=NN1)SC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H27N5O3S2/c1-13(2)17-21-19(23-22-17)28-14(3)18(25)20-15-8-7-9-16(12-15)29(26,27)24-10-5-4-6-11-24/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,20,25)(H,21,22,23)