ethyl 2-methyl-1-[(4-methylphenyl)sulfonylamino]-5-[(4-nitrophenyl)methyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-[(4-methylphenyl)sulfonylamino]-5-[(4-nitrophenyl)methyl]pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[(4-nitrophenyl)methyl]-1-(p-tolylsulfonylamino)pyrrole-3-carboxylate CAS Name: 2-methyl-1-[(4-methylphenyl)sulfonylamino]-5-[(4-nitrophenyl)methyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-[(4-methylphenyl)sulfonylamino]-5-[(4-nitrophenyl)methyl]pyrrole-3-carboxylate Traditional Name: 2-methyl-5-(4-nitrobenzyl)-1-(tosylamino)pyrrole-3-carboxylic acid ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)CC2=CC=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)CC2=CC=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C22H23N3O6S/c1-4-31-22(26)21-14-19(13-17-7-9-18(10-8-17)25(27)28)24(16(21)3)23-32(29,30)20-11-5-15(2)6-12-20/h5-12,14,23H,4,13H2,1-3H3