(5-chloranyl-1-methyl-imidazol-2-yl)methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C18H21ClN4O5S MolecularWeight: 440.90114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC=C(N3C)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC=C(N3C)Cl

InChI

InChI=1S/C18H21ClN4O5S/c1-13(24)22-6-8-23(9-7-22)29(26,27)15-5-3-4-14(10-15)18(25)28-12-17-20-11-16(19)21(17)2/h3-5,10-11H,6-9,12H2,1-2H3