sodium 2-[[2-[phenylcarbonyl-(phenylmethyl)amino]phenyl]methylsulfanyl]-3H-benzimidazole-5-sulfonate

Systemtic Name: sodium 2-[[2-[phenylcarbonyl-(phenylmethyl)amino]phenyl]methylsulfanyl]-3H-benzimidazole-5-sulfonate Openeye Name: sodium 2-[[2-[benzoyl(benzyl)amino]phenyl]methylsulfanyl]-3H-benzimidazole-5-sulfonate CAS Name: sodium 2-[[2-[benzoyl-(phenylmethyl)amino]phenyl]methylthio]-3H-benzimidazole-5-sulfonate IUPAC Name: sodium 2-[[2-[benzoyl(benzyl)amino]phenyl]methylsulfanyl]-3H-benzimidazole-5-sulfonate Traditional Name: sodium 2-[[2-[benzoyl(benzyl)amino]benzyl]thio]-3H-benzimidazole-5-sulfonate Formula: C28H22N3NaO4S2 MolecularWeight: 551.61175

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=C2CSC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)[O-])C(=O)C5=CC=CC=C5.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=C2CSC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)[O-])C(=O)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C28H23N3O4S2.Na/c32-27(21-11-5-2-6-12-21)31(18-20-9-3-1-4-10-20)26-14-8-7-13-22(26)19-36-28-29-24-16-15-23(37(33,34)35)17-25(24)30-28;/h1-17H,18-19H2,(H,29,30)(H,33,34,35);/q;+1/p-1