N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C20H27N5O4S2 MolecularWeight: 465.58948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H27N5O4S2/c1-4-10-25-15(2)22-23-20(25)30-14-19(26)21-16-8-9-17(29-3)18(13-16)31(27,28)24-11-6-5-7-12-24/h4,8-9,13H,1,5-7,10-12,14H2,2-3H3,(H,21,26)