5-[(4-bromophenyl)sulfinylmethyl]-N-[3-[methyl-(phenylmethyl)amino]propyl]furan-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfinylmethyl]-N-[3-[methyl-(phenylmethyl)amino]propyl]furan-2-carboxamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfinylmethyl]-N-[3-[methyl-(phenylmethyl)amino]propyl]-2-furancarboxamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]-2-furamide Formula: C23H25BrN2O3S MolecularWeight: 489.4252

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC=C(O1)CS(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C1=CC=C(O1)CS(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C23H25BrN2O3S/c1-26(16-18-6-3-2-4-7-18)15-5-14-25-23(27)22-13-10-20(29-22)17-30(28)21-11-8-19(24)9-12-21/h2-4,6-13H,5,14-17H2,1H3,(H,25,27)