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

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H23N5O3S2/c1-13-6-7-14(19-16(23)11-26-17-20-18-12-21(17)2)10-15(13)27(24,25)22-8-4-3-5-9-22/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,19,23)