(2S)-N-(3-ethylphenyl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: (2S)-N-(3-ethylphenyl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: (2S)-N-(3-ethylphenyl)-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: (2S)-N-(3-ethylphenyl)-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: (2S)-N-(3-ethylphenyl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: (2S)-N-(3-ethylphenyl)-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C(CCSC)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)[C@H](CCSC)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3S2/c1-3-17-10-7-11-19(16-17)22-21(24)20(12-14-27-2)23-28(25,26)15-13-18-8-5-4-6-9-18/h4-11,13,15-16,20,23H,3,12,14H2,1-2H3,(H,22,24)/b15-13+/t20-/m0/s1