3-(3H-inden-5-ylsulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 3-(3H-inden-5-ylsulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 3-(3H-inden-5-ylsulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 3-(3H-inden-5-ylsulfonyl)-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 3-(3H-inden-5-ylsulfonyl)-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 3-(3H-inden-5-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=C(C=CC3)C=C2)C

Isomeric SMILES

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

InChI

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