N-methyl-4-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)methyl]-1H-pyrrole-2-carboxamide

Systemtic Name: N-methyl-4-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)methyl]-1H-pyrrole-2-carboxamide Openeye Name: N-methyl-4-morpholinosulfonyl-N-[(3-nitrophenyl)methyl]-1H-pyrrole-2-carboxamide CAS Name: N-methyl-4-(4-morpholinylsulfonyl)-N-[(3-nitrophenyl)methyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-methyl-4-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)methyl]-1H-pyrrole-2-carboxamide Traditional Name: N-methyl-4-morpholinosulfonyl-N-(3-nitrobenzyl)-1H-pyrrole-2-carboxamide Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H20N4O6S/c1-19(12-13-3-2-4-14(9-13)21(23)24)17(22)16-10-15(11-18-16)28(25,26)20-5-7-27-8-6-20/h2-4,9-11,18H,5-8,12H2,1H3