2-methylpropyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: 2-methylpropyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: isobutyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid isobutyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-17(2)16-27-21(24)18-7-6-10-20(15-18)28(25,26)23-13-11-22(12-14-23)19-8-4-3-5-9-19/h3-10,15,17H,11-14,16H2,1-2H3