3-[[ethyl-[2-methoxy-5-(propanoylamino)phenyl]amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[ethyl-[2-methoxy-5-(propanoylamino)phenyl]amino]methyl]benzenesulfonic acid Openeye Name: 3-[[N-ethyl-2-methoxy-5-(propanoylamino)anilino]methyl]benzenesulfonic acid CAS Name: 3-[[N-ethyl-2-methoxy-5-(1-oxopropylamino)anilino]methyl]benzenesulfonic acid IUPAC Name: 3-[[N-ethyl-2-methoxy-5-(propanoylamino)anilino]methyl]benzenesulfonic acid Traditional Name: 3-[(N-ethyl-2-methoxy-5-propionamido-anilino)methyl]besylic acid Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)OC)N(CC)CC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)OC)N(CC)CC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C19H24N2O5S/c1-4-19(22)20-15-9-10-18(26-3)17(12-15)21(5-2)13-14-7-6-8-16(11-14)27(23,24)25/h6-12H,4-5,13H2,1-3H3,(H,20,22)(H,23,24,25)