(2S)-2-azanyl-3-[4-[5-(dimethylamino)naphthalen-1-yl]sulfonyloxyphenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-[5-(dimethylamino)naphthalen-1-yl]sulfonyloxyphenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[[5-(dimethylamino)-1-naphthyl]sulfonyloxy]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[[5-(dimethylamino)-1-naphthalenyl]sulfonyloxy]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[5-(dimethylamino)naphthalen-1-yl]sulfonyloxyphenyl]propanoic acid Traditional Name: (2S)-2-amino-3-(4-naphthionyloxyphenyl)propionic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=CC=C(C=C3)C[C@@H](C(=O)O)N

InChI

InChI=1S/C21H22N2O5S/c1-23(2)19-7-3-6-17-16(19)5-4-8-20(17)29(26,27)28-15-11-9-14(10-12-15)13-18(22)21(24)25/h3-12,18H,13,22H2,1-2H3,(H,24,25)/t18-/m0/s1