(E)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H28N4O4S/c1-33-23-12-11-22(16-24(23)34(31,32)29-14-6-3-7-15-29)27-25(30)13-10-21-17-26-28(19-21)18-20-8-4-2-5-9-20/h2,4-5,8-13,16-17,19H,3,6-7,14-15,18H2,1H3,(H,27,30)/b13-10+