(2R)-3-methyl-2-[[8-(methylsulfonylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[[8-(methylsulfonylamino)dibenzothiophen-3-yl]sulfonylamino]butanoic acid Openeye Name: (2R)-2-[[8-(methanesulfonamido)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2R)-2-[[8-(methanesulfonamido)-3-dibenzothiophenyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: (2R)-2-[[8-(methanesulfonamido)dibenzothiophen-3-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: (2R)-2-[[8-(methanesulfonamido)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C18H20N2O6S3 MolecularWeight: 456.5562

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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)NS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S3/c1-10(2)17(18(21)22)20-29(25,26)12-5-6-13-14-8-11(19-28(3,23)24)4-7-15(14)27-16(13)9-12/h4-10,17,19-20H,1-3H3,(H,21,22)/t17-/m1/s1