3-[[3-ethyl-3-(2-oxidanylbutyl)-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-7-yl]oxy]propane-1-sulfonic acid

Systemtic Name: 3-[[3-ethyl-3-(2-oxidanylbutyl)-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-7-yl]oxy]propane-1-sulfonic acid Openeye Name: 3-[[3-ethyl-3-(2-hydroxybutyl)-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-7-yl]oxy]propane-1-sulfonic acid CAS Name: 3-[[3-ethyl-3-(2-hydroxybutyl)-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-7-yl]oxy]-1-propanesulfonic acid IUPAC Name: 3-[[3-ethyl-3-(2-hydroxybutyl)-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-7-yl]oxy]propane-1-sulfonic acid Traditional Name: 3-[[3-ethyl-3-(2-hydroxybutyl)-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-7-yl]oxy]propane-1-sulfonic acid Formula: C24H33NO5S2 MolecularWeight: 479.65252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1(CSC2=C(C=C(C=C2)OCCCS(=O)(=O)O)C(N1)C3=CC=CC=C3)CC)O

Isomeric SMILES

CCC(CC1(CSC2=C(C=C(C=C2)OCCCS(=O)(=O)O)C(N1)C3=CC=CC=C3)CC)O

InChI

InChI=1S/C24H33NO5S2/c1-3-19(26)16-24(4-2)17-31-22-12-11-20(30-13-8-14-32(27,28)29)15-21(22)23(25-24)18-9-6-5-7-10-18/h5-7,9-12,15,19,23,25-26H,3-4,8,13-14,16-17H2,1-2H3,(H,27,28,29)