ethyl 4-[4-[4-(benzimidazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[4-(benzimidazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[[4-(1-benzimidazolyl)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[4-(benzimidazol-1-yl)benzoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C27H26N4O5S/c1-2-36-27(33)21-9-13-23(14-10-21)37(34,35)30-17-15-29(16-18-30)26(32)20-7-11-22(12-8-20)31-19-28-24-5-3-4-6-25(24)31/h3-14,19H,2,15-18H2,1H3