(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-methyl-5-(2-methylpiperidino)sulfonyl-benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C17H20ClN3O4S2 MolecularWeight: 429.9414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC3=C(SN=N3)Cl

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC3=C(SN=N3)Cl

InChI

InChI=1S/C17H20ClN3O4S2/c1-11-6-7-13(27(23,24)21-8-4-3-5-12(21)2)9-14(11)17(22)25-10-15-16(18)26-20-19-15/h6-7,9,12H,3-5,8,10H2,1-2H3