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

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-4-morpholinosulfonyl-1H-pyrrole-2-carboxamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-4-morpholinosulfonyl-1H-pyrrole-2-carboxamide Formula: C17H20BrN3O4S2 MolecularWeight: 474.3924

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)NCCSC3=CC=C(C=C3)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)NCCSC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H20BrN3O4S2/c18-13-1-3-14(4-2-13)26-10-5-19-17(22)16-11-15(12-20-16)27(23,24)21-6-8-25-9-7-21/h1-4,11-12,20H,5-10H2,(H,19,22)