ethyl 4-[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[[2-(1H-benzimidazol-2-yl)ethylamino]-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H27N5O5S/c1-2-33-22(29)17-7-9-18(10-8-17)34(31,32)28-15-13-27(14-16-28)23(30)24-12-11-21-25-19-5-3-4-6-20(19)26-21/h3-10H,2,11-16H2,1H3,(H,24,30)(H,25,26)