4-bromanyl-N-(2-methoxyethyl)-3-[(pyridin-3-ylcarbonylamino)carbamoyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-(2-methoxyethyl)-3-[(pyridin-3-ylcarbonylamino)carbamoyl]benzenesulfonamide Openeye Name: 4-bromo-N-(2-methoxyethyl)-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide CAS Name: 4-bromo-N-(2-methoxyethyl)-3-[oxo-[[oxo(3-pyridinyl)methyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-(2-methoxyethyl)-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide Traditional Name: 4-bromo-N-(2-methoxyethyl)-3-(nicotinamidocarbamoyl)benzenesulfonamide Formula: C16H17BrN4O5S MolecularWeight: 457.29898

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Descriptors Computed from Structure

Canonical SMILES:

COCCNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)NNC(=O)C2=CN=CC=C2

Isomeric SMILES

COCCNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)NNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H17BrN4O5S/c1-26-8-7-19-27(24,25)12-4-5-14(17)13(9-12)16(23)21-20-15(22)11-3-2-6-18-10-11/h2-6,9-10,19H,7-8H2,1H3,(H,20,22)(H,21,23)