methanesulfonic acid; 6-[2-[2-(4-methylphenyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine

Systemtic Name: methanesulfonic acid; 6-[2-[2-(4-methylphenyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 1-isopropylsulfonyl-6-[5-phenyl-2-[2-(p-tolyl)phenyl]-1H-imidazol-4-yl]benzimidazol-2-amine; methanesulfonic acid CAS Name: methanesulfonic acid; 6-[2-[2-(4-methylphenyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: methanesulfonic acid; 6-[2-[2-(4-methylphenyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [1-isopropylsulfonyl-6-[5-phenyl-2-[2-(p-tolyl)phenyl]-1H-imidazol-4-yl]benzimidazol-2-yl]amine; mesylic acid Formula: C34H37N5O8S3 MolecularWeight: 739.88128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C3=NC(=C(N3)C4=CC=CC=C4)C5=CC6=C(C=C5)N=C(N6S(=O)(=O)C(C)C)N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2C3=NC(=C(N3)C4=CC=CC=C4)C5=CC6=C(C=C5)N=C(N6S(=O)(=O)C(C)C)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C32H29N5O2S.2CH4O3S/c1-20(2)40(38,39)37-28-19-24(17-18-27(28)34-32(37)33)30-29(23-9-5-4-6-10-23)35-31(36-30)26-12-8-7-11-25(26)22-15-13-21(3)14-16-22;2*1-5(2,3)4/h4-20H,1-3H3,(H2,33,34)(H,35,36);2*1H3,(H,2,3,4)