3-(naphthalen-2-ylsulfonylamino)-5-[(1-oxidanyl-3-phenyl-propan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 3-(naphthalen-2-ylsulfonylamino)-5-[(1-oxidanyl-3-phenyl-propan-2-yl)carbamoyl]benzoic acid Openeye Name: 3-[(1-benzyl-2-hydroxy-ethyl)carbamoyl]-5-(2-naphthylsulfonylamino)benzoic acid CAS Name: 3-[[(1-hydroxy-3-phenylpropan-2-yl)amino]-oxomethyl]-5-(2-naphthalenylsulfonylamino)benzoic acid IUPAC Name: 3-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-5-(naphthalen-2-ylsulfonylamino)benzoic acid Traditional Name: 3-[(1-benzyl-2-hydroxy-ethyl)carbamoyl]-5-(2-naphthylsulfonylamino)benzoic acid Formula: C27H24N2O6S MolecularWeight: 504.55426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CO)NC(=O)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CO)NC(=O)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C27H24N2O6S/c30-17-24(12-18-6-2-1-3-7-18)28-26(31)21-13-22(27(32)33)15-23(14-21)29-36(34,35)25-11-10-19-8-4-5-9-20(19)16-25/h1-11,13-16,24,29-30H,12,17H2,(H,28,31)(H,32,33)