methyl 1-ethyl-3,5-dimethyl-4-[2-[phenylsulfonyl(propyl)amino]ethanoyl]pyrrole-2-carboxylate

Systemtic Name: methyl 1-ethyl-3,5-dimethyl-4-[2-[phenylsulfonyl(propyl)amino]ethanoyl]pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[benzenesulfonyl(propyl)amino]acetyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 4-[2-[benzenesulfonyl(propyl)amino]-1-oxoethyl]-1-ethyl-3,5-dimethyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[benzenesulfonyl(propyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate Traditional Name: 4-[2-[besyl(propyl)amino]acetyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylic acid methyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)C1=C(N(C(=C1C)C(=O)OC)CC)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCN(CC(=O)C1=C(N(C(=C1C)C(=O)OC)CC)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O5S/c1-6-13-22(29(26,27)17-11-9-8-10-12-17)14-18(24)19-15(3)20(21(25)28-5)23(7-2)16(19)4/h8-12H,6-7,13-14H2,1-5H3