[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate

Systemtic Name: [2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3H-benzimidazol-5-yl] ester Formula: C25H31N5O6S MolecularWeight: 529.60854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4

InChI

InChI=1S/C25H31N5O6S/c1-25(2,3)35-24(32)26-15-22(31)30-23-28-20-13-10-18(14-21(20)29-23)36-37(33,34)19-11-8-17(9-12-19)27-16-6-4-5-7-16/h8-14,16,27H,4-7,15H2,1-3H3,(H,26,32)(H2,28,29,30,31)