[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[5-(diethylamino)pentan-2-ylamino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[5-(diethylamino)pentan-2-ylamino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[[4-(diethylamino)-1-methyl-butyl]amino]benzenesulfonate CAS Name: 4-[5-(diethylamino)pentan-2-ylamino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[5-(diethylamino)pentan-2-ylamino]benzenesulfonate Traditional Name: 4-[[4-(diethylamino)-1-methyl-butyl]amino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C26H35N5O4S MolecularWeight: 513.6522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

Isomeric SMILES

CCN(CC)CCCC(C)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

InChI

InChI=1S/C26H35N5O4S/c1-4-31(5-2)16-6-7-18(3)27-20-10-13-22(14-11-20)36(33,34)35-21-12-15-23-24(17-21)29-26(28-23)30-25(32)19-8-9-19/h10-15,17-19,27H,4-9,16H2,1-3H3,(H2,28,29,30,32)