4-bromanyl-N-cyclopropyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-cyclopropyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-bromo-N-cyclopropyl-3-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 4-bromo-N-cyclopropyl-3-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-cyclopropyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-bromo-N-cyclopropyl-3-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C20H23BrN4O3S MolecularWeight: 479.39062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C20H23BrN4O3S/c21-19-4-3-17(29(27,28)23-16-1-2-16)13-18(19)20(26)25-11-9-24(10-12-25)14-15-5-7-22-8-6-15/h3-8,13,16,23H,1-2,9-12,14H2