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

Systemtic Name: 5-(cyclohexylmethylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 5-(cyclohexylmethylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 5-(cyclohexylmethylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 5-(cyclohexylmethylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 5-(cyclohexylmethylamino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Formula: C27H36N2O4S2 MolecularWeight: 516.71574

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C(CS1)NCC2CCCCC2)C)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N(C(CS1)NCC2CCCCC2)C)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H36N2O4S2/c1-26(2)27(25(30)31,29(3)24(19-34-26)28-18-20-10-6-4-7-11-20)35(32,33)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h5,8-9,12-17,20,24,28H,4,6-7,10-11,18-19H2,1-3H3,(H,30,31)