2-[[2-methoxy-5-(propanoylamino)phenyl]-(phenylmethyl)amino]ethanesulfonic acid

Systemtic Name: 2-[[2-methoxy-5-(propanoylamino)phenyl]-(phenylmethyl)amino]ethanesulfonic acid Openeye Name: 2-[N-benzyl-2-methoxy-5-(propanoylamino)anilino]ethanesulfonic acid CAS Name: 2-[2-methoxy-5-(1-oxopropylamino)-N-(phenylmethyl)anilino]ethanesulfonic acid IUPAC Name: 2-[N-benzyl-2-methoxy-5-(propanoylamino)anilino]ethanesulfonic acid Traditional Name: 2-(N-benzyl-2-methoxy-5-propionamido-anilino)ethanesulfonic 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(CCS(=O)(=O)O)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O5S/c1-3-19(22)20-16-9-10-18(26-2)17(13-16)21(11-12-27(23,24)25)14-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,20,22)(H,23,24,25)