methyl 2-ethyl-4-methyl-5-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[(4-methyl-3-morpholinosulfonyl-phenyl)carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[[4-methyl-3-(4-morpholinylsulfonyl)anilino]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-[(4-methyl-3-morpholinosulfonyl-phenyl)carbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3)C)C(=O)OC

InChI

InChI=1S/C21H27N3O6S/c1-5-16-18(21(26)29-4)14(3)19(23-16)20(25)22-15-7-6-13(2)17(12-15)31(27,28)24-8-10-30-11-9-24/h6-7,12,23H,5,8-11H2,1-4H3,(H,22,25)