2-methylpropyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: 2-methylpropyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: isobutyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid isobutyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-18(2)17-28-22(25)20-9-6-10-21(15-20)29(26,27)24-13-11-23(12-14-24)16-19-7-4-3-5-8-19/h3-10,15,18H,11-14,16-17H2,1-2H3