[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]benzenesulfonate CAS Name: 4-[4-[3-(1-pyrrolidinyl)propyl]-1,4-diazepan-1-yl]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]benzenesulfonate Traditional Name: 4-[4-(3-pyrrolidinopropyl)-1,4-diazepan-1-yl]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C29H38N6O4S MolecularWeight: 566.71482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCN2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC5=C(C=C4)N=C(N5)NC(=O)C6CC6

Isomeric SMILES

C1CCN(C1)CCCN2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC5=C(C=C4)N=C(N5)NC(=O)C6CC6

InChI

InChI=1S/C29H38N6O4S/c36-28(22-5-6-22)32-29-30-26-12-9-24(21-27(26)31-29)39-40(37,38)25-10-7-23(8-11-25)35-18-4-17-34(19-20-35)16-3-15-33-13-1-2-14-33/h7-12,21-22H,1-6,13-20H2,(H2,30,31,32,36)