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

Systemtic Name: N-(3-ethynylphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-(3-ethynylphenyl)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-(3-ethynylphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-(3-ethynylphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-(3-ethynylphenyl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c1-4-16-6-5-7-17(14-16)21-20(23)19(12-13-26-3)22-27(24,25)18-10-8-15(2)9-11-18/h1,5-11,14,19,22H,12-13H2,2-3H3,(H,21,23)