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

Systemtic Name: (4-methylphenyl)methyl 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: p-tolylmethyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid (4-methylbenzyl) ester Formula: C25H25ClN2O4S MolecularWeight: 484.995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2O4S/c1-19-7-9-20(10-8-19)18-32-25(29)23-17-22(11-12-24(23)26)33(30,31)28-15-13-27(14-16-28)21-5-3-2-4-6-21/h2-12,17H,13-16,18H2,1H3