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

Systemtic Name: (4-methylphenyl) 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: p-tolyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid p-tolyl ester Formula: C24H23ClN2O4S MolecularWeight: 470.96842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H23ClN2O4S/c1-18-7-9-20(10-8-18)31-24(28)22-17-21(11-12-23(22)25)32(29,30)27-15-13-26(14-16-27)19-5-3-2-4-6-19/h2-12,17H,13-16H2,1H3