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

Systemtic Name: (2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide Openeye Name: (2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide CAS Name: (2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: (2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide Traditional Name: (2S)-N-(2,4-dimethylbenzyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyramide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CNC(=O)C(C(C)C)NS(=O)(=O)C2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)CNC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C21H28N2O4S/c1-14(2)20(21(24)22-13-17-7-6-15(3)12-16(17)4)23-28(25,26)19-10-8-18(27-5)9-11-19/h6-12,14,20,23H,13H2,1-5H3,(H,22,24)/t20-/m0/s1