3-(3-ethoxycarbonyl-2-methyl-5-phenyl-pyrrol-1-yl)benzenesulfonic acid

Systemtic Name: 3-(3-ethoxycarbonyl-2-methyl-5-phenyl-pyrrol-1-yl)benzenesulfonic acid Openeye Name: 3-(3-ethoxycarbonyl-2-methyl-5-phenyl-pyrrol-1-yl)benzenesulfonic acid CAS Name: 3-(3-ethoxycarbonyl-2-methyl-5-phenyl-1-pyrrolyl)benzenesulfonic acid IUPAC Name: 3-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)benzenesulfonic acid Traditional Name: 3-(3-carbethoxy-2-methyl-5-phenyl-pyrrol-1-yl)besylic acid Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)O)C

InChI

InChI=1S/C20H19NO5S/c1-3-26-20(22)18-13-19(15-8-5-4-6-9-15)21(14(18)2)16-10-7-11-17(12-16)27(23,24)25/h4-13H,3H2,1-2H3,(H,23,24,25)