[2-[4-[(4-phenylphenyl)carbonylamino]butyl]-3,4-dihydro-1H-isoquinolin-7-yl] 4-ethyl-1,2-oxazole-3-sulfonate

Systemtic Name: [2-[4-[(4-phenylphenyl)carbonylamino]butyl]-3,4-dihydro-1H-isoquinolin-7-yl] 4-ethyl-1,2-oxazole-3-sulfonate Openeye Name: [2-[4-[(4-phenylbenzoyl)amino]butyl]-3,4-dihydro-1H-isoquinolin-7-yl] 4-ethylisoxazole-3-sulfonate CAS Name: 4-ethyl-3-isoxazolesulfonic acid [2-[4-[[oxo-(4-phenylphenyl)methyl]amino]butyl]-3,4-dihydro-1H-isoquinolin-7-yl] ester IUPAC Name: [2-[4-[(4-phenylbenzoyl)amino]butyl]-3,4-dihydro-1H-isoquinolin-7-yl] 4-ethyl-1,2-oxazole-3-sulfonate Traditional Name: 4-ethylisoxazole-3-sulfonic acid [2-[4-[(4-phenylbenzoyl)amino]butyl]-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C31H33N3O5S MolecularWeight: 559.67582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CON=C1S(=O)(=O)OC2=CC3=C(CCN(C3)CCCCNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C=C2

Isomeric SMILES

CCC1=CON=C1S(=O)(=O)OC2=CC3=C(CCN(C3)CCCCNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C=C2

InChI

InChI=1S/C31H33N3O5S/c1-2-23-22-38-33-31(23)40(36,37)39-29-15-14-26-16-19-34(21-28(26)20-29)18-7-6-17-32-30(35)27-12-10-25(11-13-27)24-8-4-3-5-9-24/h3-5,8-15,20,22H,2,6-7,16-19,21H2,1H3,(H,32,35)