[2-(2-piperidin-1-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonate

Systemtic Name: [2-(2-piperidin-1-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonate Openeye Name: [2-[2-(1-piperidyl)ethylcarbamoylamino]-3H-benzimidazol-5-yl] 4-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonate CAS Name: 4-[(1-ethyl-2-pyrrolidinyl)methylamino]benzenesulfonic acid [2-[[oxo-[2-(1-piperidinyl)ethylamino]methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(2-piperidin-1-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonate Traditional Name: 4-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonic acid [2-(2-piperidinoethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C28H39N7O4S MolecularWeight: 569.71876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCCN5CCCCC5

Isomeric SMILES

CCN1CCCC1CNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCCN5CCCCC5

InChI

InChI=1S/C28H39N7O4S/c1-2-35-17-6-7-22(35)20-30-21-8-11-24(12-9-21)40(37,38)39-23-10-13-25-26(19-23)32-27(31-25)33-28(36)29-14-18-34-15-4-3-5-16-34/h8-13,19,22,30H,2-7,14-18,20H2,1H3,(H3,29,31,32,33,36)