2-(9,9a-dihydro-4aH-thioxanthen-3-ylsulfonylamino)-3-methyl-butanoic acid

Systemtic Name: 2-(9,9a-dihydro-4aH-thioxanthen-3-ylsulfonylamino)-3-methyl-butanoic acid Openeye Name: 2-(9,9a-dihydro-4aH-thioxanthen-3-ylsulfonylamino)-3-methyl-butanoic acid CAS Name: 2-(9,9a-dihydro-4aH-thioxanthen-3-ylsulfonylamino)-3-methylbutanoic acid IUPAC Name: 2-(9,9a-dihydro-4aH-thioxanthen-3-ylsulfonylamino)-3-methylbutanoic acid Traditional Name: 2-(9,9a-dihydro-4aH-thioxanthen-3-ylsulfonylamino)-3-methyl-butyric acid Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2C(CC3=CC=CC=C3S2)C=C1

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2C(CC3=CC=CC=C3S2)C=C1

InChI

InChI=1S/C18H21NO4S2/c1-11(2)17(18(20)21)19-25(22,23)14-8-7-13-9-12-5-3-4-6-15(12)24-16(13)10-14/h3-8,10-11,13,16-17,19H,9H2,1-2H3,(H,20,21)