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

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N2O5S/c1-13-4-7-15(8-5-13)27(23,24)21-10-2-3-16(21)19(22)20-14-6-9-17-18(11-14)26-12-25-17/h4-9,11,16H,2-3,10,12H2,1H3,(H,20,22)/t16-/m0/s1