(2S)-2-[[8-(6-methoxypyridin-3-yl)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[8-(6-methoxypyridin-3-yl)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[8-(6-methoxy-3-pyridyl)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[8-(6-methoxy-3-pyridinyl)-3-dibenzothiophenyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[8-(6-methoxypyridin-3-yl)dibenzothiophen-3-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[8-(6-methoxy-3-pyridyl)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(S2)C=CC(=C3)C4=CN=C(C=C4)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(S2)C=CC(=C3)C4=CN=C(C=C4)OC

InChI

InChI=1S/C23H22N2O5S2/c1-13(2)22(23(26)27)25-32(28,29)16-6-7-17-18-10-14(4-8-19(18)31-20(17)11-16)15-5-9-21(30-3)24-12-15/h4-13,22,25H,1-3H3,(H,26,27)/t22-/m0/s1