(E)-N-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonyl-phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonyl-phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[2-(3-methylphenoxy)-5-(1-piperidylsulfonyl)phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[2-(3-methylphenoxy)-5-(1-piperidinylsulfonyl)phenyl]-3-(1-methyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[2-(3-methylphenoxy)-5-piperidinosulfonyl-phenyl]-3-(1-methylpyrazol-4-yl)acrylamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C=CC4=CN(N=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)/C=C/C4=CN(N=C4)C

InChI

InChI=1S/C25H28N4O4S/c1-19-7-6-8-21(15-19)33-24-11-10-22(34(31,32)29-13-4-3-5-14-29)16-23(24)27-25(30)12-9-20-17-26-28(2)18-20/h6-12,15-18H,3-5,13-14H2,1-2H3,(H,27,30)/b12-9+