(2S)-N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-methyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-methyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butyramide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)COC2=CC=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)COC2=CC=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C22H29N3O5S/c1-15(2)21(24-20(26)14-30-18-9-7-6-8-10-18)22(27)23-17-12-11-16(3)19(13-17)31(28,29)25(4)5/h6-13,15,21H,14H2,1-5H3,(H,23,27)(H,24,26)/t21-/m0/s1