2,5-dimethyl-N-(4-methylphenyl)sulfonyl-1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-(4-methylphenyl)sulfonyl-1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrole-3-carboxamide Openeye Name: 2,5-dimethyl-1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(p-tolylsulfonyl)pyrrole-3-carboxamide CAS Name: 2,5-dimethyl-N-(4-methylphenyl)sulfonyl-1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-pyrrolecarboxamide IUPAC Name: 2,5-dimethyl-N-(4-methylphenyl)sulfonyl-1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrole-3-carboxamide Traditional Name: 2,5-dimethyl-1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-tosyl-pyrrole-3-carboxamide Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=C2)C)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4)C

InChI

InChI=1S/C22H21N3O7S/c1-13-4-6-16(7-5-13)33(29,30)23-22(26)17-10-14(2)24(15(17)3)18-11-20-21(32-9-8-31-20)12-19(18)25(27)28/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)