(E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(2-oxidanyl-5-piperidin-1-ylsulfonyl-phenyl)amino]prop-2-enenitrile

Systemtic Name: (E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(2-oxidanyl-5-piperidin-1-ylsulfonyl-phenyl)amino]prop-2-enenitrile Openeye Name: (E)-3-[2-hydroxy-5-(1-piperidylsulfonyl)anilino]-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[2-hydroxy-5-(1-piperidinylsulfonyl)anilino]-2-(4-methyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(2-hydroxy-5-piperidin-1-ylsulfonylanilino)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-hydroxy-5-piperidinosulfonyl-anilino)-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)O)C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)O)/C#N

InChI

InChI=1S/C18H20N4O3S2/c1-13-12-26-18(21-13)14(10-19)11-20-16-9-15(5-6-17(16)23)27(24,25)22-7-3-2-4-8-22/h5-6,9,11-12,20,23H,2-4,7-8H2,1H3/b14-11+