ethyl 4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(8-quinolylmethyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(8-quinolinylmethyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(8-quinolylmethyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H25N3O4S/c1-2-30-23(27)19-8-10-21(11-9-19)31(28,29)26-15-13-25(14-16-26)17-20-6-3-5-18-7-4-12-24-22(18)20/h3-12H,2,13-17H2,1H3