(2-butoxy-2-oxidanylidene-ethyl) 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: (2-butoxy-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-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid (2-butoxy-2-keto-ethyl) ester Formula: C23H27ClN2O6S MolecularWeight: 494.98828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCOC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H27ClN2O6S/c1-2-3-15-31-22(27)17-32-23(28)20-16-19(9-10-21(20)24)33(29,30)26-13-11-25(12-14-26)18-7-5-4-6-8-18/h4-10,16H,2-3,11-15,17H2,1H3