4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(6-pyrrolidin-1-ylpyridin-3-yl)butanamide

Systemtic Name: 4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(6-pyrrolidin-1-ylpyridin-3-yl)butanamide Openeye Name: 4-methylsulfanyl-N-(6-pyrrolidin-1-yl-3-pyridyl)-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: 4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1-pyrrolidinyl)-3-pyridinyl]butanamide IUPAC Name: 4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(6-pyrrolidin-1-ylpyridin-3-yl)butanamide Traditional Name: 4-(methylthio)-N-(6-pyrrolidino-3-pyridyl)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CN=C(C=C1)N2CCCC2)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NC1=CN=C(C=C1)N2CCCC2)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3S2/c1-30-15-11-20(25-31(28,29)16-12-18-7-3-2-4-8-18)22(27)24-19-9-10-21(23-17-19)26-13-5-6-14-26/h2-4,7-10,12,16-17,20,25H,5-6,11,13-15H2,1H3,(H,24,27)/b16-12+