3-oxidanylidene-3-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]-2-(phenylmethyl)propane-1-sulfonic acid

Systemtic Name: 3-oxidanylidene-3-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]-2-(phenylmethyl)propane-1-sulfonic acid Openeye Name: 2-benzyl-3-[(2-benzyloxy-2-oxo-ethyl)amino]-3-oxo-propane-1-sulfonic acid CAS Name: 3-oxo-3-[(2-oxo-2-phenylmethoxyethyl)amino]-2-(phenylmethyl)-1-propanesulfonic acid IUPAC Name: 2-benzyl-3-oxo-3-[(2-oxo-2-phenylmethoxyethyl)amino]propane-1-sulfonic acid Traditional Name: 3-[(2-benzoxy-2-keto-ethyl)amino]-2-benzyl-3-keto-propane-1-sulfonic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS(=O)(=O)O)C(=O)NCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(CS(=O)(=O)O)C(=O)NCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO6S/c21-18(26-13-16-9-5-2-6-10-16)12-20-19(22)17(14-27(23,24)25)11-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,20,22)(H,23,24,25)