N-[1-(3-bromophenyl)ethyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[1-(3-bromophenyl)ethyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide Openeye Name: N-[1-(3-bromophenyl)ethyl]-4-morpholinosulfonyl-1H-pyrrole-2-carboxamide CAS Name: N-[1-(3-bromophenyl)ethyl]-4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[1-(3-bromophenyl)ethyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide Traditional Name: N-[1-(3-bromophenyl)ethyl]-4-morpholinosulfonyl-1H-pyrrole-2-carboxamide Formula: C17H20BrN3O4S MolecularWeight: 442.3274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Br)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C1=CC(=CC=C1)Br)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H20BrN3O4S/c1-12(13-3-2-4-14(18)9-13)20-17(22)16-10-15(11-19-16)26(23,24)21-5-7-25-8-6-21/h2-4,9-12,19H,5-8H2,1H3,(H,20,22)