(E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(3-piperidin-1-ylsulfonylphenyl)amino]prop-2-enenitrile

Systemtic Name: (E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(3-piperidin-1-ylsulfonylphenyl)amino]prop-2-enenitrile Openeye Name: (E)-2-(4-methylthiazol-2-yl)-3-[3-(1-piperidylsulfonyl)anilino]prop-2-enenitrile CAS Name: (E)-2-(4-methyl-2-thiazolyl)-3-[3-(1-piperidinylsulfonyl)anilino]-2-propenenitrile IUPAC Name: (E)-2-(4-methyl-1,3-thiazol-2-yl)-3-(3-piperidin-1-ylsulfonylanilino)prop-2-enenitrile Traditional Name: (E)-2-(4-methylthiazol-2-yl)-3-(3-piperidinosulfonylanilino)acrylonitrile Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S2/c1-14-13-25-18(21-14)15(11-19)12-20-16-6-5-7-17(10-16)26(23,24)22-8-3-2-4-9-22/h5-7,10,12-13,20H,2-4,8-9H2,1H3/b15-12+