3-(1H-inden-2-ylsulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 3-(1H-inden-2-ylsulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 3-(1H-inden-2-ylsulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 3-(1H-inden-2-ylsulfonyl)-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 3-(1H-inden-2-ylsulfonyl)-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 3-(1H-inden-2-ylsulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C16H19NO4S2 MolecularWeight: 353.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NCCS1)(C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C2)C

Isomeric SMILES

CC1(C(NCCS1)(C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C2)C

InChI

InChI=1S/C16H19NO4S2/c1-15(2)16(14(18)19,17-7-8-22-15)23(20,21)13-9-11-5-3-4-6-12(11)10-13/h3-6,9,17H,7-8,10H2,1-2H3,(H,18,19)