2-[3-(2-methoxyethoxy)phenyl]-6-[[(phenylmethyl)-thiophen-2-ylsulfonyl-amino]methyl]benzenesulfonic acid

Systemtic Name: 2-[3-(2-methoxyethoxy)phenyl]-6-[[(phenylmethyl)-thiophen-2-ylsulfonyl-amino]methyl]benzenesulfonic acid Openeye Name: 2-[[benzyl(2-thienylsulfonyl)amino]methyl]-6-[3-(2-methoxyethoxy)phenyl]benzenesulfonic acid CAS Name: 2-[3-(2-methoxyethoxy)phenyl]-6-[[(phenylmethyl)-thiophen-2-ylsulfonylamino]methyl]benzenesulfonic acid IUPAC Name: 2-[[benzyl(thiophen-2-ylsulfonyl)amino]methyl]-6-[3-(2-methoxyethoxy)phenyl]benzenesulfonic acid Traditional Name: 2-[[benzyl(2-thienylsulfonyl)amino]methyl]-6-[3-(2-methoxyethoxy)phenyl]besylic acid Formula: C27H27NO7S3 MolecularWeight: 573.70078

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=CC(=C1)C2=C(C(=CC=C2)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4)S(=O)(=O)O

Isomeric SMILES

COCCOC1=CC=CC(=C1)C2=C(C(=CC=C2)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4)S(=O)(=O)O

InChI

InChI=1S/C27H27NO7S3/c1-34-15-16-35-24-12-5-10-22(18-24)25-13-6-11-23(27(25)38(31,32)33)20-28(19-21-8-3-2-4-9-21)37(29,30)26-14-7-17-36-26/h2-14,17-18H,15-16,19-20H2,1H3,(H,31,32,33)