4-bromanyl-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-N-propan-2-yl-benzenesulfonamide Openeye Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-bromo-N-isopropyl-benzenesulfonamide CAS Name: 4-bromo-N-[[1-(phenylmethyl)-2-pyrrolyl]methyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-bromo-N-propan-2-ylbenzenesulfonamide Traditional Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-bromo-N-isopropyl-benzenesulfonamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)N(CC1=CC=CN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O2S/c1-17(2)24(27(25,26)21-12-10-19(22)11-13-21)16-20-9-6-14-23(20)15-18-7-4-3-5-8-18/h3-14,17H,15-16H2,1-2H3