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

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C20H23N3O7S MolecularWeight: 449.47752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CO3

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H23N3O7S/c1-15(24)22-7-9-23(10-8-22)31(27,28)18-6-2-4-16(12-18)20(26)30-14-19(25)21-13-17-5-3-11-29-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,21,25)