N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-3-piperidinosulfonyl-phenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H22ClN5O3S2 MolecularWeight: 455.98198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSC3=NN=CN3C4CC4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CSC3=NN=CN3C4CC4)Cl

InChI

InChI=1S/C18H22ClN5O3S2/c19-15-7-4-13(10-16(15)29(26,27)23-8-2-1-3-9-23)21-17(25)11-28-18-22-20-12-24(18)14-5-6-14/h4,7,10,12,14H,1-3,5-6,8-9,11H2,(H,21,25)