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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

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