2-(phenoxymethyl)-5-[1-(phenylsulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole

Systemtic Name: 2-(phenoxymethyl)-5-[1-(phenylsulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole Openeye Name: 2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-5-(phenoxymethyl)-1,3,4-thiadiazole CAS Name: 2-[1-(benzenesulfonyl)-2-pyrrolidinyl]-5-(phenoxymethyl)-1,3,4-thiadiazole IUPAC Name: 2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-5-(phenoxymethyl)-1,3,4-thiadiazole Traditional Name: 2-(1-besylpyrrolidin-2-yl)-5-(phenoxymethyl)-1,3,4-thiadiazole Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C3=NN=C(S3)COC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C3=NN=C(S3)COC4=CC=CC=C4

InChI

InChI=1S/C19H19N3O3S2/c23-27(24,16-10-5-2-6-11-16)22-13-7-12-17(22)19-21-20-18(26-19)14-25-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2