5-[(4-methoxyphenyl)amino]-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 5-[(4-methoxyphenyl)amino]-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 5-(4-methoxyanilino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 5-(4-methoxyanilino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 5-(4-methoxyanilino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2,4-trimethyl-5-(p-anisidino)-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Formula: C27H30N2O5S2 MolecularWeight: 526.6675

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C(CS1)NC2=CC=C(C=C2)OC)C)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N(C(CS1)NC2=CC=C(C=C2)OC)C)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H30N2O5S2/c1-26(2)27(25(30)31,29(3)24(18-35-26)28-21-12-14-22(34-4)15-13-21)36(32,33)23-16-10-20(11-17-23)19-8-6-5-7-9-19/h5-17,24,28H,18H2,1-4H3,(H,30,31)