N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-piperonyl-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O5S/c1-14-4-7-16(8-5-14)28(24,25)22-10-2-3-17(22)20(23)21-12-15-6-9-18-19(11-15)27-13-26-18/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,21,23)