N-[2-chloranyl-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-chloranyl-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-chloro-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-chloro-4-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-chloro-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]-3-methylsulfonylbenzamide Traditional Name: N-[2-chloro-4-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]phenyl]-3-mesyl-benzamide Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H19ClN4O4S/c1-26-13-14(12-23-26)6-9-20(27)24-16-7-8-19(18(22)11-16)25-21(28)15-4-3-5-17(10-15)31(2,29)30/h3-13H,1-2H3,(H,24,27)(H,25,28)/b9-6+