[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O6S/c24-19(21-8-4-7-16-5-2-1-3-6-16)15-29-20(25)18-13-17(14-22-18)30(26,27)23-9-11-28-12-10-23/h1-3,5-6,13-14,22H,4,7-12,15H2,(H,21,24)