[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[3-(cyclohexylamino)propylamino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[3-(cyclohexylamino)propylamino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[3-(cyclohexylamino)propylamino]benzenesulfonate CAS Name: 4-[3-(cyclohexylamino)propylamino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[3-(cyclohexylamino)propylamino]benzenesulfonate Traditional Name: 4-[3-(cyclohexylamino)propylamino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C26H33N5O4S MolecularWeight: 511.63632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

Isomeric SMILES

C1CCC(CC1)NCCCNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

InChI

InChI=1S/C26H33N5O4S/c32-25(18-7-8-18)31-26-29-23-14-11-21(17-24(23)30-26)35-36(33,34)22-12-9-20(10-13-22)28-16-4-15-27-19-5-2-1-3-6-19/h9-14,17-19,27-28H,1-8,15-16H2,(H2,29,30,31,32)