(5-chloranyl-1-methyl-imidazol-2-yl)methyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C23H25ClN4O4S MolecularWeight: 488.987

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H25ClN4O4S/c1-26-21(24)15-25-22(26)17-32-23(29)19-8-5-9-20(14-19)33(30,31)28-12-10-27(11-13-28)16-18-6-3-2-4-7-18/h2-9,14-15H,10-13,16-17H2,1H3