2-chloranylprop-2-enyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: 2-chloranylprop-2-enyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: 2-chloroallyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid 2-chloroallyl ester Formula: C20H20Cl2N2O4S MolecularWeight: 455.3548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N2O4S/c1-15(21)14-28-20(25)18-13-17(7-8-19(18)22)29(26,27)24-11-9-23(10-12-24)16-5-3-2-4-6-16/h2-8,13H,1,9-12,14H2