(3S)-4-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: (3S)-4-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: (3S)-4-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: (3S)-4-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: (3S)-4-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: (3S)-4-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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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)NCCO)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)NCCO)C(=O)O)C

InChI

InChI=1S/C21H26N2O5S2/c1-21(2)19(20(25)26)23(12-14-29-21)30(27,28)18-9-5-16(6-10-18)15-3-7-17(8-4-15)22-11-13-24/h3-10,19,22,24H,11-14H2,1-2H3,(H,25,26)/t19-/m0/s1