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

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C24H25N3O6S/c28-23(25-17-21-9-5-15-32-21)18-33-24(29)19-6-4-10-22(16-19)34(30,31)27-13-11-26(12-14-27)20-7-2-1-3-8-20/h1-10,15-16H,11-14,17-18H2,(H,25,28)