2-[(2,4-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-pyridin-3-yl-butanamide

Systemtic Name: 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-pyridin-3-yl-butanamide Openeye Name: 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(3-pyridyl)butanamide CAS Name: 2-[(2,4-dimethylphenyl)sulfonylamino]-4-(methylthio)-N-(3-pyridinyl)butanamide IUPAC Name: 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-pyridin-3-ylbutanamide Traditional Name: 2-[(2,4-dimethylphenyl)sulfonylamino]-4-(methylthio)-N-(3-pyridyl)butyramide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CN=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CN=CC=C2)C

InChI

InChI=1S/C18H23N3O3S2/c1-13-6-7-17(14(2)11-13)26(23,24)21-16(8-10-25-3)18(22)20-15-5-4-9-19-12-15/h4-7,9,11-12,16,21H,8,10H2,1-3H3,(H,20,22)