[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H25ClN4O7S MolecularWeight: 561.0066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN4O7S/c26-22-9-8-20(38(34,35)30-12-10-29(11-13-30)18-5-2-1-3-6-18)15-21(22)24(32)37-17-23(31)28-25(33)27-16-19-7-4-14-36-19/h1-9,14-15H,10-13,16-17H2,(H2,27,28,31,33)