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

Systemtic Name: 2-ethoxyethyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: 2-ethoxyethyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid 2-ethoxyethyl ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-2-28-14-15-29-21(25)19-16-18(8-9-20(19)22)30(26,27)24-12-10-23(11-13-24)17-6-4-3-5-7-17/h3-9,16H,2,10-15H2,1H3