2-(phenylmethyl)sulfonyl-7-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(phenylmethyl)sulfonyl-7-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-benzylsulfonyl-7-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(phenylmethyl)sulfonyl-7-[2-(2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-benzylsulfonyl-7-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-benzylsulfonyl-7-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C28H26N2O6S MolecularWeight: 518.58084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)OCCC3=COC(=N3)C4=CC=CC=C4)S(=O)(=O)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)OCCC3=COC(=N3)C4=CC=CC=C4)S(=O)(=O)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H26N2O6S/c31-28(32)26-16-22-11-12-25(35-14-13-24-18-36-27(29-24)21-9-5-2-6-10-21)15-23(22)17-30(26)37(33,34)19-20-7-3-1-4-8-20/h1-12,15,18,26H,13-14,16-17,19H2,(H,31,32)