4-bromanyl-N-(hydroxymethyl)-N-(4-phenyl-1-phenylmethoxy-but-2-ynyl)benzenesulfonamide

Systemtic Name: 4-bromanyl-N-(hydroxymethyl)-N-(4-phenyl-1-phenylmethoxy-but-2-ynyl)benzenesulfonamide Openeye Name: N-(1-benzyloxy-4-phenyl-but-2-ynyl)-4-bromo-N-(hydroxymethyl)benzenesulfonamide CAS Name: 4-bromo-N-(hydroxymethyl)-N-(4-phenyl-1-phenylmethoxybut-2-ynyl)benzenesulfonamide IUPAC Name: 4-bromo-N-(hydroxymethyl)-N-(4-phenyl-1-phenylmethoxybut-2-ynyl)benzenesulfonamide Traditional Name: N-(1-benzoxy-4-phenyl-but-2-ynyl)-4-bromo-N-methylol-benzenesulfonamide Formula: C24H22BrNO4S MolecularWeight: 500.40478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC(N(CO)S(=O)(=O)C2=CC=C(C=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC#CC(N(CO)S(=O)(=O)C2=CC=C(C=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C24H22BrNO4S/c25-22-14-16-23(17-15-22)31(28,29)26(19-27)24(30-18-21-10-5-2-6-11-21)13-7-12-20-8-3-1-4-9-20/h1-6,8-11,14-17,24,27H,12,18-19H2