sodium 4-[[4-[(4-azanyl-3-methyl-phenyl)-oxidanyl-(4-phenylazanylphenyl)methyl]phenyl]amino]benzenesulfonate

Systemtic Name: sodium 4-[[4-[(4-azanyl-3-methyl-phenyl)-oxidanyl-(4-phenylazanylphenyl)methyl]phenyl]amino]benzenesulfonate Openeye Name: sodium 4-[4-[(4-amino-3-methyl-phenyl)-(4-anilinophenyl)-hydroxy-methyl]anilino]benzenesulfonate CAS Name: sodium 4-[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)-hydroxymethyl]anilino]benzenesulfonate IUPAC Name: sodium 4-[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)-hydroxymethyl]anilino]benzenesulfonate Traditional Name: sodium 4-[4-[(4-amino-3-methyl-phenyl)-(4-anilinophenyl)-hydroxy-methyl]anilino]besylate Formula: C32H28N3NaO4S MolecularWeight: 573.63719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C2=CC=C(C=C2)NC3=CC=CC=C3)(C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-])O)N.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)C(C2=CC=C(C=C2)NC3=CC=CC=C3)(C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-])O)N.[Na+]

InChI

InChI=1S/C32H29N3O4S.Na/c1-22-21-25(11-20-31(22)33)32(36,23-7-12-27(13-8-23)34-26-5-3-2-4-6-26)24-9-14-28(15-10-24)35-29-16-18-30(19-17-29)40(37,38)39;/h2-21,34-36H,33H2,1H3,(H,37,38,39);/q;+1/p-1