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

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-4-hydroxy-N-piperonyl-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C[C@H]2C(=O)NCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H22N2O6S/c1-13-2-5-16(6-3-13)29(25,26)22-11-15(23)9-17(22)20(24)21-10-14-4-7-18-19(8-14)28-12-27-18/h2-8,15,17,23H,9-12H2,1H3,(H,21,24)/t15?,17-/m0/s1