(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3-methyl-2-thienyl)-N-[3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(3-methyl-2-thiophenyl)-N-[3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3-methyl-2-thienyl)-N-(3-piperidinosulfonylphenyl)acrylamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(SC=C1)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H21N3O3S2/c1-15-8-11-27-19(15)12-16(14-21)20(24)22-17-6-5-7-18(13-17)28(25,26)23-9-3-2-4-10-23/h5-8,11-13H,2-4,9-10H2,1H3,(H,22,24)/b16-12+