3-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfamoyl]nonanoic acid

Systemtic Name: 3-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfamoyl]nonanoic acid Openeye Name: 3-[[(1S)-1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxo-ethyl]sulfamoyl]nonanoic acid CAS Name: 3-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]nonanoic acid IUPAC Name: 3-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]nonanoic acid Traditional Name: 3-[[(1S)-2-keto-2-(methylamino)-1-p-anisyl-ethyl]sulfamoyl]pelargonic acid Formula: C20H32N2O6S MolecularWeight: 428.54288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(=O)O)S(=O)(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC

Isomeric SMILES

CCCCCCC(CC(=O)O)S(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)NC

InChI

InChI=1S/C20H32N2O6S/c1-4-5-6-7-8-17(14-19(23)24)29(26,27)22-18(20(25)21-2)13-15-9-11-16(28-3)12-10-15/h9-12,17-18,22H,4-8,13-14H2,1-3H3,(H,21,25)(H,23,24)/t17?,18-/m0/s1