1-ethylsulfonyl-N-[5-[(3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-ethylsulfonyl-N-[5-[(3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Openeye Name: 1-ethylsulfonyl-N-[5-(m-tolylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-ethylsulfonyl-N-[5-[(3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-ethylsulfonyl-N-[5-[(3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Traditional Name: 1-esyl-N-[5-(3-methylbenzyl)-1,3,4-thiadiazol-2-yl]isonipecotamide Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=NN=C(S2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=NN=C(S2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C18H24N4O3S2/c1-3-27(24,25)22-9-7-15(8-10-22)17(23)19-18-21-20-16(26-18)12-14-6-4-5-13(2)11-14/h4-6,11,15H,3,7-10,12H2,1-2H3,(H,19,21,23)