(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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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)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O5S/c1-15-4-7-17(8-5-15)29(25,26)23-10-2-3-18(23)21(24)22-14-16-6-9-19-20(13-16)28-12-11-27-19/h4-9,13,18H,2-3,10-12,14H2,1H3,(H,22,24)/t18-/m0/s1