(2S)-2-[[4-[(4-dimethylaminophenyl)diazenyl]phenyl]sulfonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[4-[(4-dimethylaminophenyl)diazenyl]phenyl]sulfonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[4-(4-dimethylaminophenyl)azophenyl]sulfonylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[4-(4-dimethylaminophenyl)azophenyl]sulfonylamino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[4-[(4-dimethylaminophenyl)diazenyl]phenyl]sulfonylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[4-(4-dimethylaminophenyl)azophenyl]sulfonylamino]-4-methyl-valeric acid Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H26N4O4S/c1-14(2)13-19(20(25)26)23-29(27,28)18-11-7-16(8-12-18)22-21-15-5-9-17(10-6-15)24(3)4/h5-12,14,19,23H,13H2,1-4H3,(H,25,26)/t19-/m0/s1