(2S)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-quinolin-8-yl-butanamide

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-quinolin-8-yl-butanamide Openeye Name: (2S)-4-methylsulfanyl-N-(8-quinolyl)-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: (2S)-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(8-quinolinyl)butanamide IUPAC Name: (2S)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-quinolin-8-ylbutanamide Traditional Name: (2S)-4-(methylthio)-N-(8-quinolyl)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC2=C1N=CC=C2)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=CC2=C1N=CC=C2)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S2/c1-29-15-12-20(25-30(27,28)16-13-17-7-3-2-4-8-17)22(26)24-19-11-5-9-18-10-6-14-23-21(18)19/h2-11,13-14,16,20,25H,12,15H2,1H3,(H,24,26)/b16-13+/t20-/m0/s1