(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

Systemtic Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide Openeye Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[3-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[3-(4-ethylpiperazino)sulfonylphenyl]acrylamide Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C=CC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)/C=C/C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H31N5O3S/c1-4-29-15-17-30(18-16-29)35(33,34)24-12-8-9-22(19-24)27-26(32)14-13-25-20(2)28-31(21(25)3)23-10-6-5-7-11-23/h5-14,19H,4,15-18H2,1-3H3,(H,27,32)/b14-13+