(E)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S/c1-32(30,31)18-8-9-19(20(13-18)26(28)29)22-11-12-23-21(27)10-7-16-14-24-25(15-16)17-5-3-2-4-6-17/h2-10,13-15,22H,11-12H2,1H3,(H,23,27)/b10-7+