2-[[2-[3-(methylsulfonylamino)-4-phenylmethoxy-phenyl]-2-oxidanyl-ethyl]amino]-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yloxy)ethanoic acid

Systemtic Name: 2-[[2-[3-(methylsulfonylamino)-4-phenylmethoxy-phenyl]-2-oxidanyl-ethyl]amino]-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yloxy)ethanoic acid Openeye Name: 2-[[2-[4-benzyloxy-3-(methanesulfonamido)phenyl]-2-hydroxy-ethyl]amino]-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yloxy)acetic acid CAS Name: 2-[[2-hydroxy-2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]ethyl]amino]-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yloxy)acetic acid IUPAC Name: 2-[[2-hydroxy-2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]ethyl]amino]-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yloxy)acetic acid Traditional Name: 2-[[2-[4-benzoxy-3-(methanesulfonamido)phenyl]-2-hydroxy-ethyl]amino]-2-(6,7,8,9-tetrahydro-5H-benzocyclohepten-3-yloxy)acetic acid Formula: C29H34N2O7S MolecularWeight: 554.65446

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)C(CNC(C(=O)O)OC2=CC3=C(CCCCC3)C=C2)O)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C(CNC(C(=O)O)OC2=CC3=C(CCCCC3)C=C2)O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O7S/c1-39(35,36)31-25-17-23(13-15-27(25)37-19-20-8-4-2-5-9-20)26(32)18-30-28(29(33)34)38-24-14-12-21-10-6-3-7-11-22(21)16-24/h2,4-5,8-9,12-17,26,28,30-32H,3,6-7,10-11,18-19H2,1H3,(H,33,34)