(2S)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H21BrN2O5S/c1-13-4-6-14(7-5-13)29(25,26)23-8-2-3-17(23)20(24)22-16-12-19-18(11-15(16)21)27-9-10-28-19/h4-7,11-12,17H,2-3,8-10H2,1H3,(H,22,24)/t17-/m0/s1