4-[2-(2,4-dichlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)imidazol-1-yl]-2-phenyl-pyridine-3-sulfonic acid

Systemtic Name: 4-[2-(2,4-dichlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)imidazol-1-yl]-2-phenyl-pyridine-3-sulfonic acid Openeye Name: 4-[2-(2,4-dichlorophenyl)-5-methyl-4-(1-piperidylcarbamoyl)imidazol-1-yl]-2-phenyl-pyridine-3-sulfonic acid CAS Name: 4-[2-(2,4-dichlorophenyl)-5-methyl-4-[oxo-(1-piperidinylamino)methyl]-1-imidazolyl]-2-phenyl-3-pyridinesulfonic acid IUPAC Name: 4-[2-(2,4-dichlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)imidazol-1-yl]-2-phenylpyridine-3-sulfonic acid Traditional Name: 4-[2-(2,4-dichlorophenyl)-5-methyl-4-(piperidinocarbamoyl)imidazol-1-yl]-2-phenyl-pyridine-3-sulfonic acid Formula: C27H25Cl2N5O4S MolecularWeight: 586.4895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1C2=C(C(=NC=C2)C3=CC=CC=C3)S(=O)(=O)O)C4=C(C=C(C=C4)Cl)Cl)C(=O)NN5CCCCC5

Isomeric SMILES

CC1=C(N=C(N1C2=C(C(=NC=C2)C3=CC=CC=C3)S(=O)(=O)O)C4=C(C=C(C=C4)Cl)Cl)C(=O)NN5CCCCC5

InChI

InChI=1S/C27H25Cl2N5O4S/c1-17-23(27(35)32-33-14-6-3-7-15-33)31-26(20-11-10-19(28)16-21(20)29)34(17)22-12-13-30-24(25(22)39(36,37)38)18-8-4-2-5-9-18/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,32,35)(H,36,37,38)