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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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