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

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: (2-methoxy-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-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O6S/c1-28-19(24)14-29-20(25)17-13-16(7-8-18(17)21)30(26,27)23-11-9-22(10-12-23)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3