ethyl 2,4-dimethyl-5-[(4-morpholin-4-ylsulfonylphenyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(4-morpholin-4-ylsulfonylphenyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(4-morpholinosulfonylphenyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[[4-(4-morpholinylsulfonyl)phenyl]methylamino]-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(4-morpholin-4-ylsulfonylphenyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(4-morpholinosulfonylbenzyl)carbamoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H27N3O6S/c1-4-30-21(26)18-14(2)19(23-15(18)3)20(25)22-13-16-5-7-17(8-6-16)31(27,28)24-9-11-29-12-10-24/h5-8,23H,4,9-13H2,1-3H3,(H,22,25)