1-[2-[4-[5-methoxy-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonyl-urea; 4-methylbenzenesulfonamide; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[2-[4-[5-methoxy-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonyl-urea; 4-methylbenzenesulfonamide; 4-methylbenzenesulfonic acid Openeye Name: 1-[2-[4-[5-methoxy-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]phenyl]ethyl]-3-(p-tolylsulfonyl)urea; 4-methylbenzenesulfonamide; 4-methylbenzenesulfonic acid CAS Name: 1-[2-[4-[5-methoxy-2-(1H-pyrazol-5-yl)-1-benzimidazolyl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea; 4-methylbenzenesulfonamide; 4-methylbenzenesulfonic acid IUPAC Name: 1-[2-[4-[5-methoxy-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea; 4-methylbenzenesulfonamide; 4-methylbenzenesulfonic acid Traditional Name: 1-[2-[4-[5-methoxy-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]phenyl]ethyl]-3-tosyl-urea; 4-methylbenzenesulfonamide; tosylic acid Formula: C41H43N7O9S3 MolecularWeight: 874.01662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N.CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC=C(C=C2)N3C4=C(C=C(C=C4)OC)N=C3C5=CC=NN5.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N.CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC=C(C=C2)N3C4=C(C=C(C=C4)OC)N=C3C5=CC=NN5.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C27H26N6O4S.C7H9NO2S.C7H8O3S/c1-18-3-10-22(11-4-18)38(35,36)32-27(34)28-15-13-19-5-7-20(8-6-19)33-25-12-9-21(37-2)17-24(25)30-26(33)23-14-16-29-31-23;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-12,14,16-17H,13,15H2,1-2H3,(H,29,31)(H2,28,32,34);2-5H,1H3,(H2,8,9,10);2-5H,1H3,(H,8,9,10)