N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C21H30N4O3S2 MolecularWeight: 450.6179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C(CCSC)NS(=O)(=O)C=CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C(CCSC)NS(=O)(=O)/C=C/C2=CC=CC=C2)C

InChI

InChI=1S/C21H30N4O3S2/c1-17-16-18(2)25(23-17)13-7-12-22-21(26)20(10-14-29-3)24-30(27,28)15-11-19-8-5-4-6-9-19/h4-6,8-9,11,15-16,20,24H,7,10,12-14H2,1-3H3,(H,22,26)/b15-11+