3-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(4-mesylphenyl)-5-methyl-1H-pyrrole Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17NO4S/c1-12-9-16(14-5-8-17-18(10-14)24-11-23-17)19(20-12)13-3-6-15(7-4-13)25(2,21)22/h3-10,20H,11H2,1-2H3