2-methyl-3-[(3-methylcyclohexyl)amino]-2-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2-methyl-3-[(3-methylcyclohexyl)amino]-2-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2-methyl-3-[(3-methylcyclohexyl)amino]-2-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2-methyl-3-[(3-methylcyclohexyl)amino]-2-(4-phenylphenyl)sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2-methyl-3-[(3-methylcyclohexyl)amino]-2-(4-phenylphenyl)sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2-methyl-3-[(3-methylcyclohexyl)amino]-2-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Formula: C25H32N2O4S2 MolecularWeight: 488.66258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)NC2(C(SCCN2)(C)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCCC(C1)NC2(C(SCCN2)(C)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H32N2O4S2/c1-18-7-6-10-21(17-18)27-25(23(28)29)24(2,32-16-15-26-25)33(30,31)22-13-11-20(12-14-22)19-8-4-3-5-9-19/h3-5,8-9,11-14,18,21,26-27H,6-7,10,15-17H2,1-2H3,(H,28,29)