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

Systemtic Name: 2,2-dimethyl-4-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-[4-(1-pyrrolidinylmethyl)phenyl]phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-[4-(pyrrolidinomethyl)phenyl]phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C24H30N2O4S2 MolecularWeight: 474.636

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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)CN4CCCC4)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CN4CCCC4)C(=O)O)C

InChI

InChI=1S/C24H30N2O4S2/c1-24(2)22(23(27)28)26(15-16-31-24)32(29,30)21-11-9-20(10-12-21)19-7-5-18(6-8-19)17-25-13-3-4-14-25/h5-12,22H,3-4,13-17H2,1-2H3,(H,27,28)