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

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[phenylsulfonyl(pyridin-4-ylmethyl)amino]ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[benzenesulfonyl(4-pyridylmethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[benzenesulfonyl(pyridin-4-ylmethyl)amino]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[benzenesulfonyl(pyridin-4-ylmethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[besyl(4-pyridylmethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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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=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-4-31-23(28)22-16(2)21(17(3)25-22)20(27)15-26(14-18-10-12-24-13-11-18)32(29,30)19-8-6-5-7-9-19/h5-13,25H,4,14-15H2,1-3H3