4-[4-[4-(1-azanyl-1-cyclohexyl-3-oxidanyl-propyl)phenyl]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[4-[4-(1-azanyl-1-cyclohexyl-3-oxidanyl-propyl)phenyl]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-[4-(1-amino-1-cyclohexyl-3-hydroxy-propyl)phenyl]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-[4-(1-amino-1-cyclohexyl-3-hydroxypropyl)phenyl]phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-[4-(1-amino-1-cyclohexyl-3-hydroxypropyl)phenyl]phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-[4-(1-amino-1-cyclohexyl-3-hydroxy-propyl)phenyl]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C28H38N2O5S2 MolecularWeight: 546.74172

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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)C(CCO)(C4CCCCC4)N)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(CCO)(C4CCCCC4)N)C(=O)O)C

InChI

InChI=1S/C28H38N2O5S2/c1-27(2)25(26(32)33)30(17-19-36-27)37(34,35)24-14-10-21(11-15-24)20-8-12-23(13-9-20)28(29,16-18-31)22-6-4-3-5-7-22/h8-15,22,25,31H,3-7,16-19,29H2,1-2H3,(H,32,33)