(2S)-N-(3,4-dimethylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide

Systemtic Name: (2S)-N-(3,4-dimethylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide Openeye Name: (2S)-N-(3,4-dimethylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butanamide CAS Name: (2S)-N-(3,4-dimethylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: (2S)-N-(3,4-dimethylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide Traditional Name: (2S)-N-(3,4-dimethylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-butyramide Formula: C19H23FN2O3S MolecularWeight: 378.460923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC=C2F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=CC=C2F)C

InChI

InChI=1S/C19H23FN2O3S/c1-12(2)18(19(23)21-15-10-9-13(3)14(4)11-15)22-26(24,25)17-8-6-5-7-16(17)20/h5-12,18,22H,1-4H3,(H,21,23)/t18-/m0/s1