(2-oxidanylidene-2-phenylazanyl-ethyl) 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H19N3O6S/c21-16(19-13-4-2-1-3-5-13)12-26-17(22)15-10-14(11-18-15)27(23,24)20-6-8-25-9-7-20/h1-5,10-11,18H,6-9,12H2,(H,19,21)