5-(2-hydroxyethylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 5-(2-hydroxyethylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 5-(2-hydroxyethylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 5-(2-hydroxyethylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 5-(2-hydroxyethylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 5-(2-hydroxyethylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C(CS1)NCCO)C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N(C(CS1)NCCO)C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2O5S2/c1-21(2)22(20(26)27,24(3)19(15-30-21)23-13-14-25)31(28,29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,19,23,25H,13-15H2,1-3H3,(H,26,27)