2-[azanyl-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[azanyl-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[amino-[[5-(dimethylamino)-1-naphthyl]sulfonyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[amino-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[amino-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[amino(naphthionyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N(C(CC3=CC=C(C=C3)O)C(=O)O)N

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N(C(CC3=CC=C(C=C3)O)C(=O)O)N

InChI

InChI=1S/C21H23N3O5S/c1-23(2)18-7-3-6-17-16(18)5-4-8-20(17)30(28,29)24(22)19(21(26)27)13-14-9-11-15(25)12-10-14/h3-12,19,25H,13,22H2,1-2H3,(H,26,27)