ethyl 3,5-dimethyl-4-[2-[(4-methylphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]ethanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[(4-methylphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-[p-tolylsulfonyl(4-pyridylmethyl)amino]acetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-[(4-methylphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1-oxoethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-[(4-methylphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]acetyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-[4-pyridylmethyl(tosyl)amino]acetyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN(CC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN(CC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C24H27N3O5S/c1-5-32-24(29)23-17(3)22(18(4)26-23)21(28)15-27(14-19-10-12-25-13-11-19)33(30,31)20-8-6-16(2)7-9-20/h6-13,26H,5,14-15H2,1-4H3