1-[2-[4-(2-butyl-4,6-dimethyl-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonyl-urea; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[2-[4-(2-butyl-4,6-dimethyl-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonyl-urea; 4-methylbenzenesulfonic acid Openeye Name: 1-[2-[4-(2-butyl-4,6-dimethyl-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(p-tolylsulfonyl)urea; 4-methylbenzenesulfonic acid CAS Name: 1-[2-[4-(2-butyl-4,6-dimethyl-1-imidazo[4,5-c]pyridinyl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea; 4-methylbenzenesulfonic acid IUPAC Name: 1-[2-[4-(2-butyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea; 4-methylbenzenesulfonic acid Traditional Name: 1-[2-[4-(2-butyl-4,6-dimethyl-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-tosyl-urea; tosylic acid Formula: C35H41N5O6S2 MolecularWeight: 691.85994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N=C(C=C2N1C3=CC=C(C=C3)CCNC(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N=C(C=C2N1C3=CC=C(C=C3)CCNC(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C28H33N5O3S.C7H8O3S/c1-5-6-7-26-31-27-21(4)30-20(3)18-25(27)33(26)23-12-10-22(11-13-23)16-17-29-28(34)32-37(35,36)24-14-8-19(2)9-15-24;1-6-2-4-7(5-3-6)11(8,9)10/h8-15,18H,5-7,16-17H2,1-4H3,(H2,29,32,34);2-5H,1H3,(H,8,9,10)