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

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC=C(N3C)Cl

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC=C(N3C)Cl

InChI

InChI=1S/C18H22ClN3O4S/c1-13-5-3-4-10-22(13)27(24,25)15-8-6-14(7-9-15)18(23)26-12-17-20-11-16(19)21(17)2/h6-9,11,13H,3-5,10,12H2,1-2H3