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

Systemtic Name: 2,2-dimethyl-4-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-[4-(1-piperidylmethyl)phenyl]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-[4-(1-piperidinylmethyl)phenyl]phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-[4-(piperidinomethyl)phenyl]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C25H32N2O4S2 MolecularWeight: 488.66258

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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)CN4CCCCC4)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CN4CCCCC4)C(=O)O)C

InChI

InChI=1S/C25H32N2O4S2/c1-25(2)23(24(28)29)27(16-17-32-25)33(30,31)22-12-10-21(11-13-22)20-8-6-19(7-9-20)18-26-14-4-3-5-15-26/h6-13,23H,3-5,14-18H2,1-2H3,(H,28,29)