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

Systemtic Name: N-(4-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-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-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-(4-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=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

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