(2-methylphenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (2-methylphenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: o-tolylmethyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid (2-methylbenzyl) ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S/c1-20-8-5-6-9-22(20)19-31-25(28)21-10-7-13-24(18-21)32(29,30)27-16-14-26(15-17-27)23-11-3-2-4-12-23/h2-13,18H,14-17,19H2,1H3