(2S)-3-methyl-2-[[4-(piperidin-1-yldiazenyl)phenyl]sulfonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[4-(piperidin-1-yldiazenyl)phenyl]sulfonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[4-(1-piperidylazo)phenyl]sulfonylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[4-(1-piperidinylazo)phenyl]sulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[4-(piperidin-1-yldiazenyl)phenyl]sulfonylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-[(4-piperidinoazophenyl)sulfonylamino]butyric acid Formula: C16H24N4O4S MolecularWeight: 368.45116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)N=NN2CCCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)N=NN2CCCCC2

InChI

InChI=1S/C16H24N4O4S/c1-12(2)15(16(21)22)18-25(23,24)14-8-6-13(7-9-14)17-19-20-10-4-3-5-11-20/h6-9,12,15,18H,3-5,10-11H2,1-2H3,(H,21,22)/t15-/m0/s1