(2S)-4-methylsulfanyl-N-[(2S)-octan-2-yl]-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: (2S)-4-methylsulfanyl-N-[(2S)-octan-2-yl]-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: (2S)-N-[(1S)-1-methylheptyl]-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: (2S)-4-(methylthio)-N-[(2S)-octan-2-yl]-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: (2S)-4-methylsulfanyl-N-[(2S)-octan-2-yl]-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: (2S)-N-[(1S)-1-methylheptyl]-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C21H34N2O3S2 MolecularWeight: 426.63626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)C(CCSC)NS(=O)(=O)C=CC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O3S2/c1-4-5-6-8-11-18(2)22-21(24)20(14-16-27-3)23-28(25,26)17-15-19-12-9-7-10-13-19/h7,9-10,12-13,15,17-18,20,23H,4-6,8,11,14,16H2,1-3H3,(H,22,24)/b17-15+/t18-,20-/m0/s1