4-[methyl(octadecyl)amino]-3-[(4-oxidanylnaphthalen-2-yl)carbonylamino]benzenesulfonic acid

Systemtic Name: 4-[methyl(octadecyl)amino]-3-[(4-oxidanylnaphthalen-2-yl)carbonylamino]benzenesulfonic acid Openeye Name: 3-[(4-hydroxynaphthalene-2-carbonyl)amino]-4-[methyl(octadecyl)amino]benzenesulfonic acid CAS Name: 3-[[(4-hydroxy-2-naphthalenyl)-oxomethyl]amino]-4-[methyl(octadecyl)amino]benzenesulfonic acid IUPAC Name: 3-[(4-hydroxynaphthalene-2-carbonyl)amino]-4-[methyl(octadecyl)amino]benzenesulfonic acid Traditional Name: 3-[(4-hydroxy-2-naphthoyl)amino]-4-[methyl(stearyl)amino]besylic acid Formula: C36H52N2O5S MolecularWeight: 624.87348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)C2=CC3=CC=CC=C3C(=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)C2=CC3=CC=CC=C3C(=C2)O

InChI

InChI=1S/C36H52N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-38(2)34-24-23-31(44(41,42)43)28-33(34)37-36(40)30-26-29-21-18-19-22-32(29)35(39)27-30/h18-19,21-24,26-28,39H,3-17,20,25H2,1-2H3,(H,37,40)(H,41,42,43)