[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-4-methoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxybenzoate Traditional Name: 3-[4-(3-chlorophenyl)piperazino]sulfonyl-4-methoxy-benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C25H26ClN3O7S MolecularWeight: 548.00784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H26ClN3O7S/c1-34-22-8-7-18(25(31)36-17-24(30)27-16-21-6-3-13-35-21)14-23(22)37(32,33)29-11-9-28(10-12-29)20-5-2-4-19(26)15-20/h2-8,13-15H,9-12,16-17H2,1H3,(H,27,30)