2-[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpyrrolidin-2-yl]-5-(3-pyridin-3-ylpropyl)-1,3,4-thiadiazole

Systemtic Name: 2-[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpyrrolidin-2-yl]-5-(3-pyridin-3-ylpropyl)-1,3,4-thiadiazole Openeye Name: 2-[1-(3-chloro-4-methoxy-phenyl)sulfonylpyrrolidin-2-yl]-5-[3-(3-pyridyl)propyl]-1,3,4-thiadiazole CAS Name: 2-[1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyrrolidinyl]-5-[3-(3-pyridinyl)propyl]-1,3,4-thiadiazole IUPAC Name: 2-[1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-(3-pyridin-3-ylpropyl)-1,3,4-thiadiazole Traditional Name: 2-[1-(3-chloro-4-methoxy-phenyl)sulfonylpyrrolidin-2-yl]-5-[3-(3-pyridyl)propyl]-1,3,4-thiadiazole Formula: C21H23ClN4O3S2 MolecularWeight: 479.01532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C3=NN=C(S3)CCCC4=CN=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C3=NN=C(S3)CCCC4=CN=CC=C4)Cl

InChI

InChI=1S/C21H23ClN4O3S2/c1-29-19-10-9-16(13-17(19)22)31(27,28)26-12-4-7-18(26)21-25-24-20(30-21)8-2-5-15-6-3-11-23-14-15/h3,6,9-11,13-14,18H,2,4-5,7-8,12H2,1H3