N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N3O5S2/c1-14-4-7-16(8-5-14)32(27,28)25-10-2-3-18(25)21(26)24-22-23-17(12-31-22)15-6-9-19-20(11-15)30-13-29-19/h4-9,11-12,18H,2-3,10,13H2,1H3,(H,23,24,26)