4-bromanyl-N-(2-methoxyethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-(2-methoxyethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 4-bromo-N-(2-methoxyethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 4-bromo-N-(2-methoxyethyl)-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-(2-methoxyethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 4-bromo-N-(2-methoxyethyl)-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C18H22BrN5O4S MolecularWeight: 484.36738

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Descriptors Computed from Structure

Canonical SMILES:

COCCNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COCCNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22BrN5O4S/c1-28-12-7-22-29(26,27)14-3-4-16(19)15(13-14)17(25)23-8-10-24(11-9-23)18-20-5-2-6-21-18/h2-6,13,22H,7-12H2,1H3