N-[2-[(3-cyanophenyl)carbonylamino]ethyl]-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[(3-cyanophenyl)carbonylamino]ethyl]-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-[2-[(3-cyanobenzoyl)amino]ethyl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide CAS Name: N-[2-[[(3-cyanophenyl)-oxomethyl]amino]ethyl]-1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-[2-[(3-cyanobenzoyl)amino]ethyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-[2-[(3-cyanobenzoyl)amino]ethyl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCNC(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCNC(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H23N5O5S/c1-24-14-17(31(28,29)25-7-9-30-10-8-25)12-18(24)20(27)23-6-5-22-19(26)16-4-2-3-15(11-16)13-21/h2-4,11-12,14H,5-10H2,1H3,(H,22,26)(H,23,27)