ethyl 4-[4-(benzimidazol-1-ylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(benzimidazol-1-ylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(benzimidazol-1-ylmethyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(1-benzimidazolylmethyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(benzimidazol-1-ylmethyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(benzimidazol-1-ylmethyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C=NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H24N4O4S/c1-2-29-21(26)17-7-9-18(10-8-17)30(27,28)25-13-11-23(12-14-25)16-24-15-22-19-5-3-4-6-20(19)24/h3-10,15H,2,11-14,16H2,1H3