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

Systemtic Name: 5-(3,3-diethoxypropylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 5-(3,3-diethoxypropylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 5-(3,3-diethoxypropylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 5-(3,3-diethoxypropylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 5-(3,3-diethoxypropylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Formula: C27H38N2O6S2 MolecularWeight: 550.73042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCNC1CSC(C(N1C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)(C)C)OCC

Isomeric SMILES

CCOC(CCNC1CSC(C(N1C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)(C)C)OCC

InChI

InChI=1S/C27H38N2O6S2/c1-6-34-24(35-7-2)17-18-28-23-19-36-26(3,4)27(25(30)31,29(23)5)37(32,33)22-15-13-21(14-16-22)20-11-9-8-10-12-20/h8-16,23-24,28H,6-7,17-19H2,1-5H3,(H,30,31)