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

Systemtic Name: N-(3-ethynylphenyl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-(3-ethynylphenyl)-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-(3-ethynylphenyl)-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-(3-ethynylphenyl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-(3-ethynylphenyl)-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC(=C1)C#C)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NC1=CC=CC(=C1)C#C)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O3S2/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/h1,4-11,13,15-16,20,23H,12,14H2,2H3,(H,22,24)/b15-13+