[1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)ethyl] 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid [1-oxo-1-(1-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)propan-2-yl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid [2-keto-1-methyl-2-(1-phenylbutylamino)ethyl] ester Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H29N3O6S/c1-3-7-19(17-8-5-4-6-9-17)24-21(26)16(2)31-22(27)20-14-18(15-23-20)32(28,29)25-10-12-30-13-11-25/h4-6,8-9,14-16,19,23H,3,7,10-13H2,1-2H3,(H,24,26)