3-[2-[1-(6-imidazol-1-yl-1H-benzimidazol-2-yl)ethyl]-6-(2-naphthalen-1-ylethylcarbamoyl)benzimidazol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-[1-(6-imidazol-1-yl-1H-benzimidazol-2-yl)ethyl]-6-(2-naphthalen-1-ylethylcarbamoyl)benzimidazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[1-(6-imidazol-1-yl-1H-benzimidazol-2-yl)ethyl]-6-[2-(1-naphthyl)ethylcarbamoyl]benzimidazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-[1-[6-(1-imidazolyl)-1H-benzimidazol-2-yl]ethyl]-6-[[2-(1-naphthalenyl)ethylamino]-oxomethyl]-1-benzimidazolyl]-1-propanesulfonic acid IUPAC Name: 3-[2-[1-(6-imidazol-1-yl-1H-benzimidazol-2-yl)ethyl]-6-(2-naphthalen-1-ylethylcarbamoyl)benzimidazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[1-(6-imidazol-1-yl-1H-benzimidazol-2-yl)ethyl]-6-[2-(1-naphthyl)ethylcarbamoyl]benzimidazol-1-yl]propane-1-sulfonic acid Formula: C35H33N7O4S MolecularWeight: 647.74602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1)C=C(C=C2)N3C=CN=C3)C4=NC5=C(N4CCCS(=O)(=O)O)C=C(C=C5)C(=O)NCCC6=CC=CC7=CC=CC=C76

Isomeric SMILES

CC(C1=NC2=C(N1)C=C(C=C2)N3C=CN=C3)C4=NC5=C(N4CCCS(=O)(=O)O)C=C(C=C5)C(=O)NCCC6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C35H33N7O4S/c1-23(33-38-29-13-11-27(21-31(29)39-33)41-18-16-36-22-41)34-40-30-12-10-26(20-32(30)42(34)17-5-19-47(44,45)46)35(43)37-15-14-25-8-4-7-24-6-2-3-9-28(24)25/h2-4,6-13,16,18,20-23H,5,14-15,17,19H2,1H3,(H,37,43)(H,38,39)(H,44,45,46)