[2-[(3-fluorophenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate

Systemtic Name: [2-[(3-fluorophenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-[(3-fluorophenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[[[(3-fluorophenyl)methylamino]-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[(3-fluorophenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[(3-fluorobenzyl)carbamoylamino]-3H-benzimidazol-5-yl] ester Formula: C26H26FN5O4S MolecularWeight: 523.579143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCC5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCC5=CC(=CC=C5)F

InChI

InChI=1S/C26H26FN5O4S/c27-18-5-3-4-17(14-18)16-28-26(33)32-25-30-23-13-10-21(15-24(23)31-25)36-37(34,35)22-11-8-20(9-12-22)29-19-6-1-2-7-19/h3-5,8-15,19,29H,1-2,6-7,16H2,(H3,28,30,31,32,33)