4-[[(4-bromanyl-3-methyl-phenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[(4-bromanyl-3-methyl-phenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[(4-bromo-3-methyl-phenyl)sulfonyl-(2-furylmethyl)amino]methyl]-N-methyl-benzamide CAS Name: 4-[[(4-bromo-3-methylphenyl)sulfonyl-(2-furanylmethyl)amino]methyl]-N-methylbenzamide IUPAC Name: 4-[[(4-bromo-3-methylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide Traditional Name: 4-[[(4-bromo-3-methyl-phenyl)sulfonyl-(2-furfuryl)amino]methyl]-N-methyl-benzamide Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)NC)CC3=CC=CO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)NC)CC3=CC=CO3)Br

InChI

InChI=1S/C21H21BrN2O4S/c1-15-12-19(9-10-20(15)22)29(26,27)24(14-18-4-3-11-28-18)13-16-5-7-17(8-6-16)21(25)23-2/h3-12H,13-14H2,1-2H3,(H,23,25)