tert-butyl 4-[4-[[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H31N5O6S MolecularWeight: 541.61924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

InChI

InChI=1S/C26H31N5O6S/c1-26(2,3)36-25(33)31-14-12-30(13-15-31)18-6-9-20(10-7-18)38(34,35)37-19-8-11-21-22(16-19)28-24(27-21)29-23(32)17-4-5-17/h6-11,16-17H,4-5,12-15H2,1-3H3,(H2,27,28,29,32)