1-(3-chlorophenyl)-N-[5-(phenylsulfonylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(3-chlorophenyl)-N-[5-(phenylsulfonylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Openeye Name: N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-1-(3-chlorophenyl)piperidine-4-carboxamide CAS Name: N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-1-(3-chlorophenyl)-4-piperidinecarboxamide IUPAC Name: N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-1-(3-chlorophenyl)piperidine-4-carboxamide Traditional Name: N-[5-(besylmethyl)-1,3,4-thiadiazol-2-yl]-1-(3-chlorophenyl)isonipecotamide Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NN=C(S2)CS(=O)(=O)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NN=C(S2)CS(=O)(=O)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4O3S2/c22-16-5-4-6-17(13-16)26-11-9-15(10-12-26)20(27)23-21-25-24-19(30-21)14-31(28,29)18-7-2-1-3-8-18/h1-8,13,15H,9-12,14H2,(H,23,25,27)