[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C25H27N3O6S/c29-24(26-17-22-9-5-15-33-22)19-34-25(30)21-8-4-10-23(16-21)35(31,32)28-13-11-27(12-14-28)18-20-6-2-1-3-7-20/h1-10,15-16H,11-14,17-19H2,(H,26,29)