2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-(phenylmethoxymethyl)-1,3,4-thiadiazole

Systemtic Name: 2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-(phenylmethoxymethyl)-1,3,4-thiadiazole Openeye Name: 2-(benzyloxymethyl)-5-[1-(p-tolylsulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole CAS Name: 2-[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-5-(phenylmethoxymethyl)-1,3,4-thiadiazole IUPAC Name: 2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-(phenylmethoxymethyl)-1,3,4-thiadiazole Traditional Name: 2-(benzoxymethyl)-5-(1-tosylpyrrolidin-2-yl)-1,3,4-thiadiazole Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=NN=C(S3)COCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=NN=C(S3)COCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S2/c1-16-9-11-18(12-10-16)29(25,26)24-13-5-8-19(24)21-23-22-20(28-21)15-27-14-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3