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

Systemtic Name: methyl 4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-(8-quinolylmethyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(8-quinolinylmethyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(8-quinolylmethyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-29-22(26)18-7-9-20(10-8-18)30(27,28)25-14-12-24(13-15-25)16-19-5-2-4-17-6-3-11-23-21(17)19/h2-11H,12-16H2,1H3