methyl 3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]methyl]benzoate CAS Name: 3-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzoate Traditional Name: 3-[(4-p-cumenylsulfonylpiperazino)methyl]benzoic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H28N2O4S/c1-17(2)19-7-9-21(10-8-19)29(26,27)24-13-11-23(12-14-24)16-18-5-4-6-20(15-18)22(25)28-3/h4-10,15,17H,11-14,16H2,1-3H3