4-[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-[4-(1-imidazolylmethyl)phenyl]phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CN4C=CN=C4)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CN4C=CN=C4)C(=O)O)C

InChI

InChI=1S/C23H25N3O4S2/c1-23(2)21(22(27)28)26(13-14-31-23)32(29,30)20-9-7-19(8-10-20)18-5-3-17(4-6-18)15-25-12-11-24-16-25/h3-12,16,21H,13-15H2,1-2H3,(H,27,28)